SCHEMBL17342913

SCHEMBL17342913

CC(=O)c1c[nH]c(-c2ccc(Cl)cc2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.42
NPC1 O15118 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
AURKA O14965 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
NOTUM Q6P988 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
GCGR P47871 1/20 0.39
PKM P14618 2/20 0.38
MAPK14 Q16539 1/20 0.38

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
SCHEMBL7683073 0.83 SMN1; SMN2 (0.51) RAB9ANPC1KDM4EHPGDSMN1; SMN2
SCHEMBL15882405 0.80 GCGR (0.57) RAB9ANPC1KDM4EHPGDSMN1; SMN2
SCHEMBL7692061 0.69 CSNK1A1 (0.82) RAB9ANPC1KDM4ECCNB2CDK1
SCHEMBL353039 0.68 BRPF1 (0.44) NPC1KDM4EHPGDNOTUMSMN1; SMN2
SCHEMBL10886306 0.66 SLC6A4 (0.50) RAB9ANPC1KDM4EHPGDSMN1; SMN2
SCHEMBL17342916 0.66 RAB9A (0.41) RAB9ANPC1KDM4EHPGDAURKA
SCHEMBL280180 0.66 PBRM1 (0.47) KDM4ESMN1; SMN2MAPTBRPF1NR4A2
SCHEMBL7689425 0.65 BRPF1 (0.42) RAB9ANPC1KDM4EHPGDNOTUM
SCHEMBL11451804 0.65 SMN1; SMN2 (0.50) RAB9ANPC1KDM4ECCNB2CDK1
SCHEMBL8780719 0.65 AURKA (0.50) RAB9ANPC1AURKATPX2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617211-B2 Pyrrole derivatives as alpha 7 nAChR modulators LUPIN LIMITED (IN) 2017-04-11 US disclosed
US-20150361041-A1 Pyrrole Derivatives as Alpha 7 NACHR Modulators LUPIN LIMITED (IN) 2015-12-17 US 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 (1 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-20150361041-A1 Pyrrole Derivatives as Alpha 7 NACHR Modulators CHRM1, CHRNA7, CHRM2 RAB9A 906/4885NPC1 3243/4885KDM4E 1917/4885

“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.