SCHEMBL2690482

SCHEMBL2690482

CCOC(=O)c1sc(Br)nc1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
KDM4E B2RXH2 1/20 0.51
HSP90AA1 P07900 1/20 0.51
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GPR52 Q9Y2T5 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
THRB P10828 1/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44

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
SCHEMBL2691511 0.89 MAPT (0.52) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL1919045 0.86 MEN1 (0.61) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL1919718 0.85 NPC1 (0.48) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL1919464 0.83 ALDH1A1 (0.48) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL1918920 0.82 CDC7 (0.56) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL2693618 0.82 MAPT (0.47) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL14108960 0.81 MAPT (0.59) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL1919320 0.80 FNTA (0.46) ALDH1A1KDM4ELMNATRPM8
SCHEMBL14109336 0.80 MAPT (0.58) MAPTMEN1KMT2AALDH1A1HPGD
SCHEMBL1919769 0.80 DHODH (0.50) MAPTALDH1A1HPGDKDM4ESMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2012-05-03 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-20120108565-A1 PYRROLE CARBOXYLIC ACID DERIVATIVES AS ANTIBACTERIAL AGENTS POLI, POLB, POLA1 MAPT 2190/4885MEN1 4532/4885KMT2A 1024/4885

“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.