SCHEMBL4568307

SCHEMBL4568307

CCOc1cc2[nH]c(-c3ccc(F)cc3)cc2cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.48
KIT P10721 3/20 0.43
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
AURKA O14965 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
TTK P33981 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
PDE10A Q9Y233 1/20 0.38
KCNQ2 O43526 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SSTR3 P32745 1/20 0.37
SSTR5 P35346 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL4568289 0.88 CYP1A1 (0.42) CYP1A1KITAURKACCNA2CDK2
SCHEMBL4568305 0.86 NPC1 (0.48) LMNAAURKACCNA2CDK2TTK
SCHEMBL4568292 0.85 CYP1A1 (0.51) CYP1A1KITMEN1KMT2ACYP1A2
SCHEMBL4568306 0.79 CDK5 (0.38) CYP1A1AURKACCNA2CDK2TTK
SCHEMBL4568275 0.78 MAPT (0.46) KITLMNAHTTMEN1KMT2A
SCHEMBL4568287 0.77 NPC1 (0.47) LMNAAURKACCNA2CDK2TTK
SCHEMBL4568304 0.76 CYP1A1 (0.54) CYP1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4568270 0.75 CYP1A1 (0.52) CYP1A1MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL11654524 0.74 MAPT (0.51) LMNAAURKAMEN1KMT2ACYP1A2
SCHEMBL6116903 0.71 TNKS (0.48) CYP1A1MEN1KMT2ACYP1A2SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2474530-B1 INDOLE DERIVATIVE AND PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL (JP) 2014-09-03 EP disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF KISSEI PHARMACEUTICAL CO., LTD. (JP) 2012-05-17 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-20120122931-A1 INDOLE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF PTGER1, CYSLTR1, LTB4R CYP1A1 996/4885KIT 1014/4885LMNA 4472/4885

“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.