SCHEMBL6709948

SCHEMBL6709948

Cc1ccc(NC(=O)c2cccnc2)c([N+](=O)[O-])c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.73
NPC1 O15118 5/20 0.73
GAA P10253 1/20 0.69
KCNMA1 Q12791 2/20 0.58
RAB9A P51151 4/20 0.57
ALDH1A1 P00352 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ABCB1 P08183 1/20 0.56
ABCC1 P33527 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
MAPK1 P28482 3/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
MEN1 O00255 1/20 0.53
HCAR3 P49019 1/20 0.53
GLA P06280 1/20 0.53
CASP3 P42574 1/20 0.53
HTT P42858 1/20 0.53

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
Hydrochloric Acid SCHEMBL6026805 0.85 MAPT (0.74) MAPTNPC1GAARAB9AALDH1A1
Hydrochloric Acid SCHEMBL6026802 0.85 MAPT (0.74) MAPTNPC1GAARAB9AALDH1A1
SCHEMBL6705978 0.85 MAPT (1.00) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6709848 0.82 NPC1 (0.78) MAPTNPC1GAARAB9AALDH1A1
SCHEMBL14880185 0.82 CYP2C19 (0.67) MAPTNPC1GAARAB9AALDH1A1
SCHEMBL18086522 0.81 RAB9A (0.67) MAPTNPC1GAAKCNMA1RAB9A
SCHEMBL19608699 0.80 GAA (0.72) MAPTNPC1GAARAB9AALDH1A1
SCHEMBL18086524 0.80 HDAC1 (0.68) NPC1GAARAB9AALDH1A1SMN1; SMN2
SCHEMBL6707243 0.80 GAA (0.61) MAPTNPC1GAAKCNMA1RAB9A
SCHEMBL5175961 0.78 RAB9A (0.70) MAPTNPC1GAARAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794397-B2 ANTICARCINOGENIC AGENTS CYTOVIA, INC. 2004-09-21 US claimed
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 claimed
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 claimed
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 claimed
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 MAPT 4426/4885NPC1 698/4885GAA 2801/4885
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 MAPT 4016/4885NPC1 991/4885GAA 2889/4885

“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.