SCHEMBL24117943

SCHEMBL24117943

C=C(CCNC(=O)c1ccnc(C(F)(F)F)c1)[C@H](C)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.43
▸ KCNH2 Q12809 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ DDR1 Q08345 1/20 0.40
▸ RHOC P08134 1/20 0.39
▸ RHOA P61586 1/20 0.39

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
SCHEMBL24118232 0.85 EPHX2 (0.43) EPHX2KCNH2
SCHEMBL24118378 0.85 EPHX2 (0.46) EPHX2ALDH1A1
SCHEMBL24118250 0.84 ALDH1A1 (0.54) EPHX2LMNARAB9AALDH1A1DDR1
SCHEMBL24118075 0.83 USP36 (0.45) EPHX2LMNASMN1; SMN2DDR1RHOC
SCHEMBL24118272 0.81 MEN1 (0.44) SMN1; SMN2ALDH1A1RHOCRHOA
SCHEMBL24117949 0.81 IDO1 (0.53) ALDH1A1
SCHEMBL24118386 0.79 MEN1 (0.42) ALDH1A1RHOCRHOA
SCHEMBL24118244 0.79 ALDH1A1 (0.51) LMNASMN1; SMN2ALDH1A1
SCHEMBL24118311 0.79 ALDH1A1 (0.46) LMNARAB9ASMN1; SMN2ALDH1A1
SCHEMBL24118073 0.79 ALDH1A1 (0.46) LMNARAB9ASMN1; SMN2ALDH1A1

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 EPHX2 805/4885KCNH2 4100/4885NPC1 1240/4885

“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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