SCHEMBL4403501

SCHEMBL4403501

CC(C)(C)Cc1cccc2ccsc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.42
CYP2A6 P11509 1/20 0.42
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
CYP19A1 P11511 2/20 0.37
OPRM1 P35372 1/20 0.36
OPRK1 P41145 1/20 0.36
RIPK1 Q13546 2/20 0.36
HTR2B P41595 1/20 0.33
CCR4 P51679 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
BRD4 O60885 1/20 0.32
SLC2A1 P11166 1/20 0.32
HDAC4 P56524 1/20 0.32
PIK3C2B O00750 1/20 0.31
PIM1 P11309 1/20 0.31
XIAP P98170 1/20 0.30

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
SCHEMBL26200143 0.84 DAO (0.40) DAOCYP2A6HTR2AHTR2CCYP19A1
SCHEMBL19756679 0.81 DAO (0.42) DAOCYP2A6HTR2AHTR2CCYP19A1
SCHEMBL2610672 0.79 CYP2A6 (0.50) DAOCYP2A6HTR2AHTR2CCYP19A1
SCHEMBL3797459 0.76 DAO (0.43) DAOCYP2A6HTR2AHTR2CCYP19A1
SCHEMBL30620370 0.75 CYP2A6 (0.46) DAOCYP2A6HTR2AHTR2CCYP19A1
SCHEMBL113854 0.75 CYP2A6 (0.46) DAOCYP2A6HTR2AHTR2CCYP19A1
SCHEMBL30620284 0.75 DAO (0.49) DAOCYP2A6HTR2AHTR2CCYP19A1
SCHEMBL3154995 0.75 CYP2A6 (0.46) DAOCYP2A6HTR2AHTR2CCYP19A1
SCHEMBL3056444 0.75 CYP2A6 (0.46) DAOCYP2A6HTR2AHTR2CCYP19A1
SCHEMBL12432195 0.75 CYP2A6 (0.46) DAOCYP2A6HTR2AHTR2CCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 US disclosed
US-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 US disclosed
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS ALEXION PHARMACEUTICALS, INC. 2015-12-10 US disclosed
US-9102625-B2 Nicotinamides as JAK kinase modulators PORTOLA PHARMACEUTICALS, INC. (US) 2015-08-11 US disclosed
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-03 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 (3 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-11746116-B2 Antibiotic resistance breakers ABCC1, ARL1, AKR1C3 DAO 1815/4885CYP2A6 245/4885HTR2A 3665/4885
US-20150353495-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK DAO 1167/4885CYP2A6 1003/4885HTR2A 3280/4885
US-20120108566-A1 NICOTINAMIDES AS JAK KINASE MODULATORS JAK2, JAK1, NADK DAO 1167/4885CYP2A6 1003/4885HTR2A 3280/4885

“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.