SCHEMBL24878437

SCHEMBL24878437

Cc1cccc(N2CCN(C(=O)Cn3nc(C(=O)N4CCC(O)CC4)c4c3CCCC4)CC2)c1C

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.57
MAPT P10636 5/20 0.52
ALOX15 P16050 2/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 3/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.45
TP53 P04637 1/20 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
SCHEMBL30128898 1.00 IDO1 (0.57) IDO1MAPTALOX15ALDH1A1KDM4E
SCHEMBL31011189 0.99 IDO1 (0.56) IDO1MAPTALOX15ALDH1A1KDM4E
SCHEMBL21995742 0.99 IDO1 (0.56) IDO1MAPTALOX15ALDH1A1KDM4E
SCHEMBL24878105 0.98 IDO1 (0.57) IDO1MAPTALOX15ALDH1A1KDM4E
SCHEMBL30129298 0.98 IDO1 (0.57) IDO1MAPTALOX15ALDH1A1KDM4E
SCHEMBL24877931 0.96 IDO1 (0.55) IDO1MAPTALOX15ALDH1A1KDM4E
SCHEMBL21996126 0.92 IDO1 (0.60) IDO1MAPTALOX15ALDH1A1KDM4E
SCHEMBL24877723 0.92 MAPT (0.56) IDO1MAPTALOX15ALDH1A1KDM4E
SCHEMBL30128853 0.92 MAPT (0.56) IDO1MAPTALOX15ALDH1A1KDM4E
SCHEMBL24878460 0.91 IDO1 (0.52) IDO1MAPTALOX15ALDH1A1KDM4E

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 1/4885MAPT 2271/4885ALOX15 633/4885

“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.