SCHEMBL24118248

SCHEMBL24118248

C=C(CCNC(=O)c1ccc2ccccc2c1)[C@H](C)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.56
▸ LMNA P02545 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ HTR1A P08908 3/20 0.48
▸ DEGS1 O15121 1/20 0.47
▸ ENPP3 O14638 1/20 0.47
▸ ENPP1 P22413 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ CASP3 P42574 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ HDAC3 O15379 5/20 0.44
▸ HDAC1 Q13547 5/20 0.44
▸ HDAC2 Q92769 5/20 0.44
▸ HDAC4 P56524 4/20 0.44
▸ HDAC7 Q8WUI4 4/20 0.44
▸ HDAC10 Q969S8 4/20 0.44

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
SCHEMBL24117949 0.86 IDO1 (0.53) POLBMEN1KMT2AHDAC3HDAC1
SCHEMBL24118272 0.85 MEN1 (0.44) POLBSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL24118244 0.84 ALDH1A1 (0.51) POLBLMNASMN1; SMN2MAPTMEN1
SCHEMBL24118311 0.84 ALDH1A1 (0.46) POLBLMNASMN1; SMN2MAPTMEN1
SCHEMBL24118073 0.84 ALDH1A1 (0.46) POLBLMNASMN1; SMN2MAPTMEN1
SCHEMBL24118064 0.83 IDO1 (0.46) POLBLMNASMN1; SMN2MEN1KMT2A
SCHEMBL24118386 0.83 MEN1 (0.42) POLBMEN1KMT2AHDAC3HDAC1
SCHEMBL24117930 0.82 CYP1A2 (0.49) POLBSMN1; SMN2MAPTMEN1KMT2A
SCHEMBL24118259 0.82 POLB (0.44) POLBLMNASMN1; SMN2MAPTMEN1
SCHEMBL24118250 0.82 ALDH1A1 (0.54) POLBLMNAMEN1KMT2ARAB9A

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 POLB 1950/4885LMNA 4578/4885SMN1; SMN2 2675/4885

“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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