SCHEMBL6708262

SCHEMBL6708262

COc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cn1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.58
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
PABPC1 P11940 2/20 0.55
USP2 O75604 1/20 0.55
ALDH1A1 P00352 2/20 0.54
RECQL P46063 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
P2RX1 P51575 1/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47

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
SCHEMBL6706995 0.85 POLB (0.65) POLBALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6706060 0.85 POLB (0.61) POLBALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3606953 0.82 SMN1; SMN2 (0.60) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4061312 0.78 HTT (0.56) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1662861 0.78 NPC1 (0.58) POLBMEN1KMT2AALDH1A1NPC1
SCHEMBL10246421 0.77 MEN1 (0.59) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4931984 0.77 MEN1 (0.62) POLBMEN1KMT2APABPC1USP2
SCHEMBL3156502 0.75 POLB (0.82) POLBMEN1KMT2AALDH1A1RECQL
SCHEMBL6591899 0.74 LMNA (0.74) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL5258664 0.73 MCHR1 (0.57) ALDH1A1MAPTKDM4EHTTKDR

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-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 POLB 2535/4885MEN1 3202/4885KMT2A 3048/4885
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 POLB 2857/4885MEN1 3283/4885KMT2A 3188/4885

“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.