SCHEMBL24118279

SCHEMBL24118279

C=C(CCNC(=O)Nc1ccc(F)c(Cl)c1)[C@H](C)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.59
▸ KMT2A Q03164 5/20 0.59
▸ LMNA P02545 3/20 0.58
▸ NPC1 O15118 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ HTT P42858 3/20 0.50
▸ TSHR P16473 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ CNR1 P21554 2/20 0.47
▸ SLC2A1 P11166 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ CASP3 P42574 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ CYP1A2 P05177 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ SLC6A3 Q01959 1/20 0.45

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
SCHEMBL24118405 0.90 KMT2A (0.44) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL24118254 0.89 FPR2 (0.48) MEN1KMT2ALMNARAB9AHTT
SCHEMBL24118262 0.88 RAB9A (0.56) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL24117952 0.81 KMT2A (0.58) MEN1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL24118338 0.81 GCGR (0.46) CNR1L3MBTL1
SCHEMBL24118326 0.80 GCG (0.49) KMT2ALMNANPC1RAB9ASMN1; SMN2
SCHEMBL24118064 0.80 IDO1 (0.46) MEN1KMT2ALMNARAB9ASMN1; SMN2
SCHEMBL24118062 0.79 IDO1 (0.54) MEN1KMT2ASMN1; SMN2
SCHEMBL24117949 0.78 IDO1 (0.53) MEN1KMT2AKDM4EL3MBTL1
SCHEMBL23593322 0.76 POLB (0.48) MEN1KMT2ANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210393600-A1 Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors MERCK SHARP & DOHME CORP. (US) 2021-12-23 — — 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 (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-20210393600-A1 Novel [1.1.1] Bicyclo Compounds as Indoleamine 2,3-Dioxygenase Inhibitors IDO1, IDO2, TPH1 MEN1 1667/4885KMT2A 1464/4885LMNA 4578/4885

“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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