SCHEMBL4568304

SCHEMBL4568304

Cc1cc2cc(-c3ccc(F)cc3)[nH]c2cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.54
HPN P05981 1/20 0.43
ERCC1 P07992 1/20 0.41
ERCC4 Q92889 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
ALOX5 P09917 1/20 0.39
GSK3B P49841 2/20 0.38
CDC7 O00311 1/20 0.38
PIM1 P11309 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CLK1 P49759 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 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
SCHEMBL20390733 0.87 MEN1 (0.45) CYP1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL3702479 0.84 NPC1 (0.53) SMN1; SMN2KDM4EMEN1KMT2AGSK3B
SCHEMBL4568270 0.81 CYP1A1 (0.52) CYP1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL4568292 0.79 CYP1A1 (0.51) CYP1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL4568303 0.76 GPR35 (0.41) CYP1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL4568307 0.76 CYP1A1 (0.48) CYP1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL18470546 0.76 CYP1A1 (0.57) CYP1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL695341 0.76 ITK (0.56) CYP1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL30869753 0.74 CYP1A1 (0.68) CYP1A1HPNSMN1; SMN2KDM4EMEN1
SCHEMBL694886 0.73 CYP1A1 (0.44) CYP1A1SMN1; SMN2KDM4EMEN1KMT2A

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 996/4885HPN 3620/4885ERCC1 4250/4885

“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.