SCHEMBL6282837

SCHEMBL6282837

COc1ccc(-c2cccn2-c2ccc(Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
MAPT P10636 2/20 0.50
GLA P06280 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ALDH1A1 P00352 2/20 0.49
PTGS2 P35354 5/20 0.48
PTGS1 P23219 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
THPO P40225 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
HIF1A Q16665 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 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
SCHEMBL6282109 0.92 ALDH1A1 (0.56) RAB9AMAPTALDH1A1PTGS2PTGS1
SCHEMBL6287434 0.86 ALDH1A1 (0.50) RAB9AMAPTALDH1A1PTGS2PTGS1
SCHEMBL6286504 0.85 RAB9A (0.50) RAB9AMAPTALDH1A1PTGS2LMNA
SCHEMBL6287285 0.84 KMT2A (0.51) RAB9AMAPTRXFP1ALDH1A1PTGS2
SCHEMBL6283438 0.84 KMT2A (0.51) RAB9AMAPTRXFP1ALDH1A1PTGS2
SCHEMBL6285619 0.82 PTGS2 (0.48) ALDH1A1PTGS2PTGS1CYP1A2CYP3A4
SCHEMBL5311642 0.80 PTGS2 (0.71) ALDH1A1PTGS2PTGS1
SCHEMBL5312437 0.80 PTGS2 (0.71) ALDH1A1PTGS2PTGS1
SCHEMBL6282870 0.79 PTGS2 (0.43) RAB9AMAPTALDH1A1PTGS2PTGS1
SCHEMBL5314069 0.79 PTGS2 (0.69) PTGS2PTGS1

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
US-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20030144338-A1 Tyrosine phosphatase inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-07-31 US disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 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-20030144338-A1 Tyrosine phosphatase inhibitors PTPRC, PTPN1, PTPRM RAB9A 3961/4885MAPT 4800/4885GLA 3029/4885

“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.