SCHEMBL6706201

SCHEMBL6706201

O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Cl)nc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.73
CYP1A2 P05177 1/20 0.73
CYP2D6 P10635 1/20 0.73
CYP2C19 P33261 1/20 0.73
KCNQ3 O43525 7/20 0.58
KCNQ2 O43526 7/20 0.58
KCNE1 P15382 7/20 0.58
KCNQ1 P51787 7/20 0.58
KDM4E B2RXH2 1/20 0.56
TP53 P04637 2/20 0.55
MDM4 O15151 1/20 0.55
MDM2 Q00987 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
MAPT P10636 1/20 0.53
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
LIPE Q05469 2/20 0.49
KDR P35968 1/20 0.48
TRPV1 Q8NER1 1/20 0.48
F10 P00742 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
SCHEMBL1235368 0.80 HDAC1 (0.60) RAB9AKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL7748111 0.80 RAB9A (0.83) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL24178169 0.79 ALDH1A1 (0.58) RAB9ACYP1A2CYP2D6CYP2C19KCNQ3
SCHEMBL2302927 0.79 ALDH1A1 (0.64) RAB9ACYP1A2CYP2D6CYP2C19KCNQ3
SCHEMBL1233684 0.78 KCNQ3 (0.60) RAB9ACYP1A2CYP2D6CYP2C19KCNQ3
SCHEMBL6708115 0.77 MEN1 (0.57) RAB9ACYP1A2CYP2D6CYP2C19KCNQ3
SCHEMBL6708107 0.76 F10 (0.56) RAB9AKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL6708189 0.76 NPC1 (0.60) RAB9AKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL11321129 0.75 RAB9A (0.70) RAB9ACYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL4063955 0.75 NPC1 (0.62) RAB9ACYP1A2CYP2C19KCNQ3KCNQ2

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 1146/4885CYP1A2 1095/4885CYP2D6 1354/4885
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 975/4885CYP1A2 2155/4885CYP2D6 1792/4885

“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.