SCHEMBL20898403

SCHEMBL20898403

O=C(Nc1ccc(Br)cc1F)c1cccc(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
MAPT P10636 2/20 0.66
HTT P42858 1/20 0.66
RAB9A P51151 7/20 0.64
NPC1 O15118 6/20 0.64
SMN1; SMN2 Q16637 5/20 0.64
NFKB1 P19838 1/20 0.64
NFKB2 Q00653 1/20 0.64
RELA Q04206 1/20 0.64
GAA P10253 1/20 0.62
KCNMA1 Q12791 1/20 0.56
GPR35 Q9HC97 1/20 0.56
GRIK1 P39086 1/20 0.55
HPGD P15428 1/20 0.54
POLB P06746 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 2/20 0.52

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
SCHEMBL2898181 0.84 GAA (0.70) LMNAMEN1KMT2AMAPTRAB9A
SCHEMBL28595634 0.83 MEN1 (0.65) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL27880345 0.83 RAB9A (0.64) LMNAMEN1KMT2AMAPTHTT
SCHEMBL1307097 0.82 AKR1C2 (0.76) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL28581602 0.79 WDR5 (0.62) LMNAMEN1KMT2AMAPTHTT
SCHEMBL27880346 0.79 NPC1 (0.60) LMNAMEN1KMT2AMAPTRAB9A
SCHEMBL3848971 0.79 RAB9A (0.70) LMNAMEN1KMT2AMAPTHTT
SCHEMBL1307853 0.78 MEN1 (0.62) MEN1KMT2AHTTRAB9ANPC1
SCHEMBL3848169 0.78 MAPT (0.67) LMNAMEN1KMT2AMAPTRAB9A
SCHEMBL15333445 0.78 RAB9A (0.65) MEN1KMT2AMAPTRAB9ANPC1

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 7 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
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
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 LMNA 4584/4885MEN1 2348/4885KMT2A 1151/4885
US-20200277252-A1 NOVEL SUBSTITUTED CYCLOBUTYLBENZENE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU LMNA 4734/4885MEN1 2583/4885KMT2A 1287/4885

“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.