SCHEMBL3788719

SCHEMBL3788719

COc1ccc(NC(=O)c2ccc(Cl)nc2)cn1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.64
RAB9A P51151 2/20 0.64
KCNQ3 O43525 14/20 0.63
KCNQ2 O43526 14/20 0.63
KCNE1 P15382 9/20 0.63
KCNQ1 P51787 9/20 0.63
BACE1 P56817 1/20 0.62
ALDH1A1 P00352 2/20 0.59
LMNA P02545 2/20 0.59
KDM4E B2RXH2 2/20 0.59
NPC1 O15118 1/20 0.59
HTT P42858 1/20 0.59
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 1/20 0.57
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55

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
SCHEMBL5215207 0.87 KCNQ3 (0.81) SMN1; SMN2RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL2302302 0.83 RAB9A (0.72) SMN1; SMN2RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL3596711 0.82 RAB9A (0.62) SMN1; SMN2RAB9AKDM4ENPC1MEN1
SCHEMBL2302037 0.82 KCNQ3 (0.67) SMN1; SMN2RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL2302748 0.82 RAB9A (0.74) SMN1; SMN2RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL13947158 0.82 SMN1; SMN2 (0.65) SMN1; SMN2RAB9AKDM4ENPC1MEN1
SCHEMBL13989051 0.82 SMN1; SMN2 (0.58) SMN1; SMN2RAB9AALDH1A1LMNAKDM4E
SCHEMBL1020185 0.81 MAPK1 (0.59) SMN1; SMN2RAB9AALDH1A1LMNAKDM4E
SCHEMBL1845700 0.81 RAB9A (0.58) SMN1; SMN2RAB9AALDH1A1LMNAKDM4E
SCHEMBL1020999 0.81 P4HTM (0.59) SMN1; SMN2RAB9AALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010143803-A2 NEW NICOTINAMIDE DERIVATIVES WITH ANTI-ANDROGEN EFFECTS, PROCESSES OF PREPARING, AND ANTIANDROGENS COMPRISING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2010-12-16 WO claimed
WO-2010143803-A2 NEW NICOTINAMIDE DERIVATIVES WITH ANTI-ANDROGEN EFFECTS, PROCESSES OF PREPARING, AND ANTIANDROGENS COMPRISING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2010-12-16 WO disclosed
WO-2010143803-A2 NEW NICOTINAMIDE DERIVATIVES WITH ANTI-ANDROGEN EFFECTS, PROCESSES OF PREPARING, AND ANTIANDROGENS COMPRISING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2010-12-16 WO disclosed
US-20040235846-A1 Administering substituted nicotinamides and nicotinamide analogs for therapy of disorder responsive to the induction of apoptosis in an animal; anti-cancer agents CYTOVIA, INC. 2004-11-25 US disclosed
US-6794397-B2 ANTICARCINOGENIC AGENTS CYTOVIA, INC. 2004-09-21 US disclosed
EP-1257536-A1 SUBSTITUTED NICOTINAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2002-11-20 EP disclosed
US-20020010185-A1 Substituted nicotinamides and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2002-01-24 US disclosed
WO-2001055115-A1 SUBSTITUTED NICOTINAMIDES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-08-02 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 (2 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-20020010185-A1 Substituted nicotinamides and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP3, BAD, CASP12 SMN1; SMN2 2117/4885RAB9A 1146/4885KCNQ3 3841/4885
US-20040235846-A1 Administering substituted nicotinamides and nicotinamide analogs for therapy of disorder responsive to the induction of apoptosis in an animal; anti-cancer agents NAMPT, BAD, NNT SMN1; SMN2 988/4885RAB9A 975/4885KCNQ3 3677/4885

“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.