SCHEMBL20899151

SCHEMBL20899151

O=C(NC1(c2ccc([N+](=O)[O-])cc2)CCC1)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.52
FLT4 P35916 1/20 0.52
KDR P35968 1/20 0.52
WDR91 A4D1P6 4/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
GAA P10253 2/20 0.49
TRPA1 O75762 1/20 0.46
CXCR3 P49682 1/20 0.45
HPGD P15428 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.43
CYP1A2 P05177 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
SCHEMBL17109521 0.82 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL20898400 0.81 WDR91 (0.54) WDR91MEN1KMT2AMAPTALDH1A1
SCHEMBL16249346 0.81 WDR91 (0.53) FLT1FLT4KDRWDR91CXCR3
SCHEMBL20898458 0.79 NPSR1 (0.48) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL29757377 0.76 SMN1; SMN2 (0.44) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL15524658 0.76 MAPT (0.45) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL11058028 0.76 FLT1 (0.68) FLT1FLT4KDRMEN1KMT2A
SCHEMBL22438959 0.75 WDR91 (0.57) WDR91MAPTALDH1A1TRPA1CXCR3
SCHEMBL30583803 0.74 ALDH1A1 (0.51) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL5513628 0.73 MAPK1 (0.53) MEN1KMT2AMAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3694502-B1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 EP disclosed
US-11319283-B2 Substituted cyclobutylbenzene compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2022-05-03 US disclosed
US-20200277252-A1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-09-03 US disclosed
EP-3694502-A1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-08-19 EP disclosed
WO-2019074747-A1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2019-04-18 WO 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-11319283-B2 Substituted cyclobutylbenzene compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, KYNU FLT1 4245/4885FLT4 4348/4885KDR 4310/4885
US-20200277252-A1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU FLT1 4279/4885FLT4 4411/4885KDR 4378/4885

“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.