SCHEMBL24877880

SCHEMBL24877880

Cc1cccc(N2CCN(C(=O)Cn3nc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)c4c3CCC4)CC2)c1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.53
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
MAPT P10636 5/20 0.49
ALOX15 P16050 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TP53 P04637 2/20 0.44
LMNA P02545 4/20 0.44
HTT P42858 2/20 0.44
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL30129204 1.00 IDO1 (0.53) IDO1KMT2AMEN1MAPTALOX15
SCHEMBL24878376 0.97 MAPT (0.53) IDO1KMT2AMEN1MAPTALOX15
SCHEMBL30129198 0.97 MAPT (0.53) IDO1KMT2AMEN1MAPTALOX15
SCHEMBL24877807 0.94 IDO1 (0.47) IDO1KMT2AMEN1MAPTALOX15
SCHEMBL30128889 0.94 ALOX15 (0.51) IDO1KMT2AMEN1MAPTALOX15
SCHEMBL24878083 0.94 ALOX15 (0.51) IDO1KMT2AMEN1MAPTALOX15
SCHEMBL30128999 0.93 IDO1 (0.48) IDO1KMT2AMEN1MAPTALOX15
SCHEMBL24877825 0.93 IDO1 (0.48) IDO1KMT2AMEN1MAPTALOX15
SCHEMBL24878011 0.92 IDO1 (0.46) IDO1KMT2AMEN1MAPTALOX15
SCHEMBL30128939 0.92 IDO1 (0.46) IDO1KMT2AMEN1MAPTALOX15

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-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2023-01-12 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-20230008022-A1 NOVEL SUBSTITUTED PIPERAZINE AMIDE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, KYNU IDO1 1/4885KMT2A 520/4885MEN1 3710/4885

“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.