SCHEMBL18157908

SCHEMBL18157908

COc1cc(CN(C)C)nc(CN(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
CYP1A1 P04798 1/20 0.38
CYP1B1 Q16678 1/20 0.38
DPP4 P27487 1/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
CYP2D6 P10635 1/20 0.36
NOS3 P29474 1/20 0.35
CALM1 P0DP23 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
HTR2A P28223 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL18157907 0.75 KDM4E (0.45) ALDH1A1NOS1NOS2NOS3KDM4E
SCHEMBL28689445 0.75 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1NOS1NOS2
SCHEMBL3100529 0.73 ALDH1A1 (0.52) ALDH1A1CYP1A1CYP1B1CALM1
SCHEMBL9636530 0.73 TERT (0.37) ALDH1A1NOS1NOS2CYP2D6NOS3
SCHEMBL15746871 0.73 TSHR (0.47) ALDH1A1CALM1HSD17B10
SCHEMBL6165209 0.73 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1NOS1NOS2
SCHEMBL18157882 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL522843 0.73 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1NOS1NOS2
SCHEMBL6990127 0.73 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1NOS1NOS2
SCHEMBL20865094 0.69 HDAC1 (0.51)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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-20170227690-A1 NEAR INFRARED RAY ABSORBENT COMPOSITION, NEAR INFRARED RAY CUT FILTER, SOLID IMAGE PICKUP ELEMENT, AND CAMERA MODULE C9, SET, CRY1 ALDH1A1 2313/4885CYP1A1 2306/4885CYP1B1 3426/4885

“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.