SCHEMBL18157904

SCHEMBL18157904

c1cc(CN2CCCCC2)nc(CN2CCCCC2)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.66
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 4/20 0.53
HPGD P15428 1/20 0.53
HSD17B10 Q99714 1/20 0.53
HRH3 Q9Y5N1 2/20 0.52
CYP2C19 P33261 2/20 0.52
CYP2D6 P10635 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.47
HRH4 Q9H3N8 1/20 0.47
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
HIF1A Q16665 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL29604003 0.98 CXCR4 (0.63) CXCR4ALDH1A1KDM4EHPGDHSD17B10
Bromide SCHEMBL29605492 0.98 CXCR4 (0.63) CXCR4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20609083 0.98 CXCR4 (0.68) CXCR4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL154919 0.91 CXCR4 (0.56) CXCR4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL12666994 0.89 CXCR4 (0.54) CXCR4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20356625 0.88 CXCR4 (0.58) CXCR4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL10689955 0.87 CXCR4 (0.51) CXCR4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5342190 0.87 CXCR4 (0.51) CXCR4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3169838 0.87 CXCR4 (0.51) CXCR4ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL839038 0.87 FAAH (0.53) CXCR4ALDH1A1KDM4EHPGDHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634950-B1 COBALT COMPLEXES, PROCESS FOR PREPARATION AND USE THEREOF COUNCIL SCIENT IND RES (IN) 2022-03-09 EP claimed
US-11517565-B2 Bis-amines, compositions, and uses related to CXCR4 inhibition EMORY UNIVERSITY (US) 2022-12-06 US disclosed
EP-3634950-B1 COBALT COMPLEXES, PROCESS FOR PREPARATION AND USE THEREOF COUNCIL SCIENT IND RES (IN) 2022-03-09 EP disclosed
US-11040994-B2 Cobalt complexes, process for preparation and use thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2021-06-22 US disclosed
US-10989846-B2 Near infrared absorbing composition, near infrared cut filter, method of manufacturing near infrared cut filter, solid image pickup element, camera module, and image display device FUJIFILM CORPORATION (JP) 2021-04-27 US disclosed
US-20200316040-A1 Bis-amines, Compositions, and Uses Related to CXCR4 Inhibition UNIV EMORY (US) 2020-10-08 US disclosed
US-20200223880-A1 COBALT COMPLEXES, PROCESS FOR PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2020-07-16 US disclosed
US-10709697-B2 Bis-amines, compositions, and uses related to CXCR4 inhibition EMORY UNIVERSITY (US) 2020-07-14 US disclosed
US-10184052-B2 Near infrared radiation-absorbing composition, near infrared radiation cut-off filter and production method therefor, and camera module and production method therefor FUJIFILM CORPORATION (JP) 2019-01-22 US disclosed
US-20190008840-A1 Bis-amines, Compositions, and Uses Related to CXCR4 Inhibition NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-01-10 US disclosed
US-20180175090-A1 NEAR INFRARED ABSORBING COMPOSITION, FILM, NEAR INFRARED CUT FILTER, AND SOLID IMAGE PICKUP ELEMENT FUJIFILM CORPORATION (JP) 2018-06-21 US disclosed
US-20180175090-A1 NEAR INFRARED ABSORBING COMPOSITION, FILM, NEAR INFRARED CUT FILTER, AND SOLID IMAGE PICKUP ELEMENT FUJIFILM CORPORATION (JP) 2018-06-21 US disclosed
US-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed
US-20180094086-A1 NEAR INFRARED ABSORBING COMPOSITION, NEAR INFRARED CUT FILTER, METHOD OF MANUFACTURING NEAR INFRARED CUT FILTER, DEVICE, METHOD OF MANUFACTURING COPPER-CONTAINING POLYMER, AND COPPER-CONTAINING POLYMER FUJIFILM CORPORATION (JP) 2018-04-05 US disclosed
US-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE FUJIFILM CORPORATION (JP) 2017-08-10 US disclosed
US-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE FUJIFILM CORPORATION (JP) 2017-08-10 US disclosed
US-20160304730-A1 NEAR INFRARED RADIATION-ABSORBING COMPOSITION, NEAR INFRARED RADIATION CUT-OFF FILTER AND PRODUCTION METHOD THEREFOR, AND CAMERA MODULE AND PRODUCTION METHOD THEREFOR FUJIFILM CORPORATION (JP) 2016-10-20 US disclosed
US-20160304730-A1 NEAR INFRARED RADIATION-ABSORBING COMPOSITION, NEAR INFRARED RADIATION CUT-OFF FILTER AND PRODUCTION METHOD THEREFOR, AND CAMERA MODULE AND PRODUCTION METHOD THEREFOR FUJIFILM CORPORATION (JP) 2016-10-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11517565-B2 Bis-amines, compositions, and uses related to CXCR4 inhibition CXCR4, CXCL12, CXCR2 CXCR4 1/4885ALDH1A1 453/4885KDM4E 2201/4885
US-20200223880-A1 COBALT COMPLEXES, PROCESS FOR PREPARATION AND USE THEREOF MAPT, PSEN1, PSEN2 CXCR4 2928/4885ALDH1A1 3029/4885KDM4E 3320/4885
US-20200316040-A1 Bis-amines, Compositions, and Uses Related to CXCR4 Inhibition CXCR4, CXCL12, CXCR2 CXCR4 1/4885ALDH1A1 453/4885KDM4E 2201/4885
US-10709697-B2 Bis-amines, compositions, and uses related to CXCR4 inhibition CXCR4, CXCL12, CXCR2 CXCR4 1/4885ALDH1A1 447/4885KDM4E 2344/4885
US-20190008840-A1 Bis-amines, Compositions, and Uses Related to CXCR4 Inhibition CXCR4, CXCL12, CXCR2 CXCR4 1/4885ALDH1A1 447/4885KDM4E 2344/4885
US-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE C9, SET, CRY1 CXCR4 3217/4885ALDH1A1 2313/4885KDM4E 2067/4885
US-11040994-B2 Cobalt complexes, process for preparation and use thereof MAPT, PSEN1, PSEN2 CXCR4 2928/4885ALDH1A1 3029/4885KDM4E 3320/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.