SCHEMBL22438959

SCHEMBL22438959

O=C(NC1(c2ccc(Br)cc2)CC1)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WDR91 A4D1P6 7/20 0.57
CXCR3 P49682 2/20 0.50
HDAC1 Q13547 4/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
TRPA1 O75762 1/20 0.43
OGG1 O15527 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HDAC4 P56524 1/20 0.42

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
SCHEMBL22438947 0.85 HDAC1 (0.49) HDAC1HDAC3HDAC2HDAC6OGG1
SCHEMBL20358898 0.82 PDE2A (0.52) HDAC1HDAC3HDAC6ALDH1A1LMNA
SCHEMBL20898400 0.79 WDR91 (0.54) WDR91CXCR3HDAC1HDAC3HDAC2
SCHEMBL22439020 0.79 HDAC1 (0.48) HDAC1HDAC3HDAC2HDAC6OGG1
SCHEMBL16249346 0.79 WDR91 (0.53) WDR91CXCR3HDAC1HDAC3HDAC2
SCHEMBL22685263 0.78 HDAC3 (0.44) WDR91CXCR3HDAC1HDAC3HDAC2
SCHEMBL27857949 0.77 WDR91 (0.48) WDR91CXCR3HDAC1HDAC3HDAC2
SCHEMBL23908251 0.76 CTSL (0.47) CXCR3HDAC1KDM4EALDH1A1LMNA
SCHEMBL20899151 0.75 FLT1 (0.52) WDR91CXCR3HDAC1TRPA1KDM4E
SCHEMBL15258671 0.75 HDAC3 (0.47) WDR91CXCR3HDAC1HDAC3HDAC2

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
EP-3709986-B1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
US-11498904-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2022-11-15 US disclosed
US-20210317091-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-14 US disclosed
EP-3709986-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-09-23 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 (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-20210317091-A1 NOVEL SUBSTITUTED BIARYL COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU WDR91 1642/4885CXCR3 741/4885HDAC1 68/4885
US-11498904-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT WDR91 1729/4885CXCR3 486/4885HDAC1 82/4885

“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.