SCHEMBL19214859

SCHEMBL19214859

CCC(Cc1ccccn1)NCc1cccc(NC(=O)C(C)(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTPRA P18433 1/20 0.37
APP P05067 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
HTT P42858 2/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL20661523 0.86 GSK3A (0.38) CYP1A2CYP3A4CYP2C9CYP2C19MAPK1
SCHEMBL18158024 0.84 KDM4E (0.38) POLBKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL20024578 0.82 L3MBTL1 (0.46) POLBKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL19214809 0.79 PTPRA (0.44) POLBKDM4ECYP1A2PTPRASMN1; SMN2
SCHEMBL19214785 0.78 TRPV3 (0.40) POLBKDM4ECYP1A2PTPRASMN1; SMN2
SCHEMBL19214860 0.78 FABP1 (0.49) KDM4ECYP1A2APPSMN1; SMN2HTT
SCHEMBL6696131 0.77 SMN1; SMN2 (0.45) POLBKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL21211342 0.77 SMN1; SMN2 (0.45) POLBKDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL19214814 0.77 HRH3 (0.39) POLBKDM4ECYP1A2PTPRAAPP
SCHEMBL29386034 0.74 CYP1A2 (0.42) POLBKDM4ECYP1A2CYP3A4CYP2C9

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 1 patent. 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

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 POLB 2608/4885KDM4E 2067/4885CYP1A2 3189/4885

“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.