SCHEMBL1459847

SCHEMBL1459847

COC(CNC(=O)c1ccc(C)c(Br)c1)OC

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 7/20 0.58
▸ ALDH1A1 P00352 7/20 0.57
▸ TDP1 Q9NUW8 2/20 0.53
▸ KDM4E B2RXH2 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MTOR P42345 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ L3MBTL1 Q9Y468 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
SCHEMBL23865174 0.91 HPGD (0.52) HPGDALDH1A1TDP1KDM4EGAA
SCHEMBL8221411 0.84 HPGD (0.53) HPGDALDH1A1TDP1KDM4EGAA
SCHEMBL30398755 0.82 TDP1 (0.65) HPGDALDH1A1TDP1KDM4EGAA
SCHEMBL22460499 0.82 TDP1 (0.65) HPGDALDH1A1TDP1KDM4EGAA
SCHEMBL1169501 0.80 KMT2A (0.56) HPGDALDH1A1TDP1KDM4EGAA
SCHEMBL18300355 0.80 HPGD (0.55) HPGDALDH1A1TDP1KDM4EGAA
SCHEMBL26727495 0.80 TDP1 (0.53) HPGDALDH1A1TDP1KDM4EGAA
SCHEMBL9312206 0.79 KMT2A (0.67) HPGDALDH1A1TDP1KDM4EGAA
SCHEMBL13753864 0.79 HPGD (0.68) HPGDALDH1A1TDP1KDM4EGAA
SCHEMBL22273087 0.77 HPGD (0.58) HPGDALDH1A1TDP1KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3572401-B1 ASK1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) 2021-09-29 — — EP disclosed
US-10787435-B2 ASK1 inhibitor and preparation method and use thereof Fuijan Cosunter Pharmaceutical Co. Ltd. (CN) 2020-09-29 — — US disclosed
EP-2480529-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. Hoffmann-La Roche AG (CH) 2012-08-01 — — EP disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — WO disclosed
WO-2011036130-A1 INDOLE DERIVATIVES AS CRAC MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-03-31 — — WO disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — US disclosed
US-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ALAM MUZAFFAR 2011-03-24 — — 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 (2 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-20110071150-A1 INDOLE DERIVATIVES AS CRAC MODULATORS ORAI1, RYR2, CACNA1E HPGD 2285/4885ALDH1A1 1801/4885TDP1 2319/4885
US-10787435-B2 ASK1 inhibitor and preparation method and use thereof MARK1, MAP3K1, MAP3K20 HPGD 3579/4885ALDH1A1 3134/4885TDP1 71/4885

“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.

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