SCHEMBL24118141

SCHEMBL24118141

C=C(CCNC(=O)c1cccc(Cl)c1)C(C)C(=O)Nc1ccc(Cl)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ IDO1 P14902 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ TMEM97 Q5BJF2 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ HTR2B P41595 1/20 0.41

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
SCHEMBL24118042 0.88 IDO1 (0.53) MEN1KMT2ALMNAMAPTHTT
SCHEMBL24118064 0.85 IDO1 (0.46) MEN1KMT2ALMNANPSR1ALDH1A1
SCHEMBL24118259 0.78 POLB (0.44) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL24118062 0.78 IDO1 (0.54) MEN1KMT2AALDH1A1POLBIDO1
SCHEMBL24117949 0.77 IDO1 (0.53) MEN1KMT2AALDH1A1POLBIDO1
SCHEMBL24118262 0.77 RAB9A (0.56) MEN1KMT2ALMNAMAPTHTT
SCHEMBL24118217 0.76 GAA (0.54) MEN1KMT2ALMNAMAPTHTT
SCHEMBL24118338 0.76 GCGR (0.46) ALDH1A1POLBIDO1
SCHEMBL24118311 0.76 ALDH1A1 (0.46) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL24118073 0.76 ALDH1A1 (0.46) MEN1KMT2ALMNAMAPTALDH1A1

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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