SCHEMBL375495

SCHEMBL375495

Cc1[nH]c(-c2ccccc2)cc1C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.58
GCGR P47871 1/20 0.55
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
NPC1 O15118 2/20 0.50
MAPK1 P28482 2/20 0.50
MAPT P10636 1/20 0.50
STAT1 P42224 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KMT2A Q03164 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MMP2 P08253 4/20 0.46

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
SCHEMBL1156069 0.87 BRD4 (0.63) BRD4GCGRALDH1A1RAB9ANPC1
SCHEMBL2215320 0.77 BRD4 (0.75) BRD4ALDH1A1MAPT
SCHEMBL4105383 0.76 ALDH1A1 (0.52) ALDH1A1RAB9ATDP1NPC1MAPK1
SCHEMBL2588443 0.75 ALDH1A1 (0.72) ALDH1A1RAB9ATDP1NPC1MAPK1
SCHEMBL19727271 0.74 TUBB4A (0.53) BRD4GCGRALDH1A1RAB9ATDP1
SCHEMBL7173993 0.74 BRD4 (1.00) BRD4ALDH1A1MAPT
SCHEMBL1450398 0.74 BRD4 (0.71) BRD4ALDH1A1MAPT
SCHEMBL1156279 0.73 KMT2A (0.67) GCGRALDH1A1RAB9ANPC1MAPK1
SCHEMBL7997890 0.73 ALDH1A1 (0.56) BRD4GCGRALDH1A1RAB9ATDP1
SCHEMBL13399325 0.73 TUBB4A (0.52) BRD4GCGRALDH1A1RAB9ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222274-B2 Pyrrole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2012-07-17 US disclosed
EP-1988075-B1 PYRROLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-01-25 EP disclosed
US-20090036421-A1 Pyrrole Derivative or Salt Thereof ASTELLAS PHARMA INC (JP) 2009-02-05 US disclosed
EP-1988075-A1 PYRROLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-05 EP 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-20090036421-A1 Pyrrole Derivative or Salt Thereof HTR7, HTR2B, SSTR5 BRD4 874/4885GCGR 207/4885ALDH1A1 4209/4885

“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.