SCHEMBL18158024

SCHEMBL18158024

CC(C)(C)C(=O)Nc1cccc(CNC(Cc2ccccn2)c2ccccn2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PTPRA P18433 1/20 0.36
APP P05067 3/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
HTT P42858 2/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
EGFR P00533 1/20 0.35
KDR P35968 1/20 0.35
ADORA1 P30542 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL19214859 0.84 POLB (0.39) KDM4EPOLBCYP2C19CYP1A2CYP3A4
SCHEMBL20024578 0.81 L3MBTL1 (0.46) KDM4EPOLBCYP2C19CYP1A2CYP3A4
SCHEMBL21211342 0.79 SMN1; SMN2 (0.45) KDM4EPOLBCYP2C19CYP1A2CYP3A4
SCHEMBL6696131 0.79 SMN1; SMN2 (0.45) KDM4EPOLBCYP2C19CYP1A2CYP3A4
SCHEMBL18158095 0.78 PTPRA (0.44) KDM4EPOLBCYP1A2PTPRASMN1; SMN2
SCHEMBL18157994 0.77 CXCR4 (0.44) CYP2C19CYP1A2CYP3A4CYP2C9PTPRA
SCHEMBL18157938 0.77 FDPS (0.38) KDM4EPOLBCYP1A2PTPRASMN1; SMN2
SCHEMBL18157950 0.77 FABP1 (0.49) KDM4EAPPSMN1; SMN2HTTTSHR
SCHEMBL18157995 0.76 ADORA1 (0.37) POLBCYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL18158081 0.76 GRIN2D (0.37) KDM4EPTPRASMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KDM4E 2067/4885POLB 2608/4885CYP2C19 2257/4885

“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.