SCHEMBL4034628

SCHEMBL4034628

Cc1nc2cc(NC(=O)CCl)ccc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.61
NPC1 O15118 7/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
TP53 P04637 2/20 0.61
CASP3 P42574 1/20 0.58
SENP7 Q9BQF6 1/20 0.58
TRPV1 Q8NER1 1/20 0.58
LDHA P00338 4/20 0.57
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 4/20 0.53
NPSR1 Q6W5P4 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
LMNA P02545 2/20 0.52
TSHR P16473 1/20 0.52

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
SCHEMBL15228759 0.86 RAB9A (0.62) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL5798843 0.84 RAB9A (0.65) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL4011536 0.82 LDHA (0.78) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL5314972 0.80 MAPT (0.68) RAB9ASMN1; SMN2TP53POLBTDP1
SCHEMBL5319016 0.79 MAPT (0.83) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL6308055 0.78 SMN1; SMN2 (0.61) RAB9ANPC1SMN1; SMN2CASP3SENP7
SCHEMBL3323465 0.78 P2RX7 (0.69) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL18725644 0.78 RAB9A (0.58) RAB9ANPC1SMN1; SMN2TP53CASP3
SCHEMBL5334697 0.77 TRPV1 (0.68) RAB9ANPC1SMN1; SMN2CASP3SENP7
SCHEMBL6313267 0.77 RAB9A (0.56) RAB9ANPC1SMN1; SMN2TP53CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1806346-B1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS INC (US) 2009-07-22 EP disclosed
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
US-7407960-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-08-05 US disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed
EP-1806346-A1 Substituted piperazine compounds and their use as fatty acid oxidation inhibitors CV THERAPEUTICS, INC. (US) 2007-07-11 EP disclosed
EP-1567525-B1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2007-06-27 EP disclosed
EP-1567525-B1 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS INC (US) 2007-06-27 EP disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 US disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 US disclosed
US-20070004751-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2007-01-04 US disclosed
US-7125876-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-24 US disclosed
EP-1567525-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2005-08-31 EP disclosed
US-20040152890-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2004-08-05 US disclosed
WO-2004052887-A2 SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS CV THERAPEUTICS, INC. (US) 2004-06-24 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-20040152890-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A RAB9A 1508/4885NPC1 2524/4885SMN1; SMN2 2385/4885
US-20070004751-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A RAB9A 1496/4885NPC1 2349/4885SMN1; SMN2 2336/4885

“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.