SCHEMBL24118115

SCHEMBL24118115

C=C(CCNC(=O)c1cncc(C)c1)C(C)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 1/20 0.43
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ CTSK P43235 1/20 0.39
▸ EIF2S1 P05198 1/20 0.38
▸ EIF2AK3 Q9NZJ5 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ NAMPT P43490 2/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ HPGD P15428 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ SMYD3 Q9H7B4 1/20 0.37
▸ GAA P10253 1/20 0.37

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
SCHEMBL24118075 0.87 USP36 (0.45) EPHX2SMN1; SMN2
SCHEMBL24118272 0.84 MEN1 (0.44) KMT2AMEN1POLBCYP1A2CYP2C9
SCHEMBL24117971 0.82 KDM4E (0.48) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL24118386 0.82 MEN1 (0.42) KMT2AMEN1POLBCYP1A2CYP2C9
SCHEMBL24118073 0.81 ALDH1A1 (0.46) KMT2AMEN1POLBCYP1A2CYP2C9
SCHEMBL24118244 0.81 ALDH1A1 (0.51) KMT2AMEN1POLBNAMPTKDM4E
SCHEMBL24118311 0.81 ALDH1A1 (0.46) KMT2AMEN1POLBCYP1A2CYP2C9
SCHEMBL24117949 0.81 IDO1 (0.53) KMT2AMEN1POLBNAMPTKDM4E
SCHEMBL24117930 0.80 CYP1A2 (0.49) KMT2AMEN1POLBCYP1A2CYP2C9
SCHEMBL24118254 0.78 FPR2 (0.48) KMT2AMEN1POLBCYP1A2CYP2C9

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 SCN10A 3318/4885KMT2A 1464/4885MEN1 1667/4885

“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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