SCHEMBL6709853

SCHEMBL6709853

CC(C)(C)c1ccc(NC(=O)c2ccc(Cl)nc2)c([N+](=O)[O-])c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.67
NPC1 O15118 8/20 0.67
MAPK1 P28482 5/20 0.67
ALDH1A1 P00352 4/20 0.67
HTT P42858 2/20 0.67
GLA P06280 1/20 0.67
CASP3 P42574 1/20 0.67
SENP8 Q96LD8 1/20 0.67
SENP7 Q9BQF6 1/20 0.67
SENP6 Q9GZR1 1/20 0.67
SMN1; SMN2 Q16637 4/20 0.51
GAA P10253 3/20 0.51
HCAR3 P49019 1/20 0.49
MAPT P10636 5/20 0.48
LMNA P02545 3/20 0.48
HPGD P15428 1/20 0.48
ATM Q13315 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PHGDH O43175 1/20 0.47
MDM4 O15151 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
SCHEMBL6705957 0.89 KCNMA1 (0.56) RAB9ANPC1MAPK1ALDH1A1HTT
SCHEMBL6707243 0.85 GAA (0.61) RAB9ANPC1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL6708189 0.85 NPC1 (0.60) RAB9ANPC1HCAR3MAPTPHGDH
SCHEMBL6710007 0.84 HCAR3 (0.50) RAB9ANPC1HTTSMN1; SMN2GAA
SCHEMBL6706188 0.84 KCNMA1 (0.57) RAB9ANPC1MAPK1ALDH1A1HTT
SCHEMBL6709928 0.83 KCNMA1 (0.54) RAB9ANPC1ALDH1A1HTTSMN1; SMN2
SCHEMBL6705958 0.82 MAPT (0.68) RAB9ANPC1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL6707129 0.81 KMT2A (0.53) RAB9ANPC1ALDH1A1HTTSMN1; SMN2
SCHEMBL7302107 0.81 NPC1 (0.69) RAB9ANPC1MAPK1ALDH1A1HTT
SCHEMBL6705961 0.81 NPC1 (0.59) RAB9ANPC1MAPK1ALDH1A1SMN1; SMN2

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 RAB9A 1146/4885NPC1 698/4885MAPK1 456/4885
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 RAB9A 975/4885NPC1 991/4885MAPK1 713/4885

“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.