SCHEMBL6616481

SCHEMBL6616481

COc1ccc(-c2ncn[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP3A4 P08684 1/20 0.51
KDM4E B2RXH2 4/20 0.50
SCN4A P35499 1/20 0.50
ALDH1A1 P00352 2/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
MPI P34949 1/20 0.47
GFER P55789 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KMT2A Q03164 1/20 0.47
PLCG1 P19174 1/20 0.46
SCN2A Q99250 1/20 0.46
MAPT P10636 2/20 0.46
CLK4 Q9HAZ1 1/20 0.46

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
SCHEMBL971261 0.81 CYP1A1 (0.50) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL5386179 0.80 GSK3B (0.52) KMT2ACLK4
SCHEMBL31659803 0.77 TRPM8 (0.46) SCN2A
SCHEMBL1440897 0.74 IDO1 (0.53) NPC1RAB9AALDH1A1KMT2AMAPT
SCHEMBL2158677 0.74 ENPP2 (0.61) NPC1RAB9ACYP3A4KDM4EALDH1A1
SCHEMBL23718811 0.74 IDO1 (0.50) NPC1RAB9AALDH1A1GAAHPGD
SCHEMBL970723 0.74 IDO1 (0.61) CYP1A2CYP2C19CYP3A4KDM4EGAA
SCHEMBL271098 0.73 NPBWR1 (0.49) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL10022370 0.73 IDO1 (0.47) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL10066946 0.73 METAP2 (0.44) NPC1RAB9AKDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210238192-A1 VASCULAR ADHESION PROTEIN-1 (VAP-1) MODULATORS AND THERAPEUTIC USES THEREOF BLADE THERAPEUTICS, INC. 2021-08-05 US disclosed
EP-1442026-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003040110-A1 TRIAZOLE DERIVATIVES AS CYCLOOXYGENASE (COX) INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 WO 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-20210238192-A1 VASCULAR ADHESION PROTEIN-1 (VAP-1) MODULATORS AND THERAPEUTIC USES THEREOF VCAM1, VAPB, ICAM1 NPC1 2102/4885RAB9A 921/4885CYP1A2 4782/4885

“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.