SCHEMBL16257592

SCHEMBL16257592

Cc1c(C(=O)O)[nH]c(C=O)c1C(=O)c1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
ALOX15 P16050 1/20 0.39
PARP1 P09874 1/20 0.39
CREBBP Q92793 1/20 0.39
PLAU P00749 1/20 0.38
PTGS2 P35354 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MTOR P42345 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPT P10636 1/20 0.36
PRNP P04156 1/20 0.36

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
SCHEMBL16239984 0.89 ALOX15 (0.38) KMT2AALDH1A1POLBALOX15PARP1
SCHEMBL15151532 0.87 CREBBP (0.47) KMT2AALDH1A1ALOX15PARP1CREBBP
SCHEMBL16240177 0.85 KMT2A (0.62) KMT2AALDH1A1POLBNPSR1TSHR
SCHEMBL4471417 0.85 ALDH1A1 (0.44) KMT2AALDH1A1POLBCREBBPNPSR1
SCHEMBL16240138 0.83 MAPT (0.36) KMT2AALDH1A1POLBALOX15CREBBP
SCHEMBL16240140 0.83 MAPT (0.36) KMT2AALDH1A1POLBALOX15CREBBP
SCHEMBL15151468 0.79 PARP1 (0.42) KMT2AALDH1A1POLBALOX15PARP1
SCHEMBL16257625 0.78 ALDH1A1 (0.55) KMT2AALDH1A1POLBNPSR1TSHR
SCHEMBL16270877 0.76 L3MBTL1 (0.34) KMT2AALDH1A1POLBNPC1RAB9A
SCHEMBL15151528 0.75 KMT2A (0.48) KMT2AALDH1A1POLBNPSR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140343017-A1 PYRROLE COMPOUND KABUSHIKI KAISHA YAKULT HONSHA (JP) 2014-11-20 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-20140343017-A1 PYRROLE COMPOUND TUBB3, TUBB1, TUBB KMT2A 2038/4885ALDH1A1 2354/4885POLB 633/4885

“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.