SCHEMBL24878431

SCHEMBL24878431

Cc1c(F)ccc(N2CCN(C(=O)Cn3nc(C(=O)N4CC[C@H](O)[C@@H](F)C4)c4c3CCCC4)CC2)c1C

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.61
ALOX15 P16050 2/20 0.41
MAPT P10636 5/20 0.36
CFD P00746 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CCR1 P32246 1/20 0.33

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
SCHEMBL24878400 1.00 IDO1 (0.61) IDO1ALOX15MAPTCFDKDM4E
SCHEMBL24878405 1.00 IDO1 (0.61) IDO1ALOX15MAPTCFDKDM4E
SCHEMBL30129056 1.00 IDO1 (0.61) IDO1ALOX15MAPTCFDKDM4E
SCHEMBL30129094 1.00 IDO1 (0.61) IDO1ALOX15MAPTCFDKDM4E
SCHEMBL30129096 1.00 IDO1 (0.61) IDO1ALOX15MAPTCFDKDM4E
SCHEMBL24878458 0.92 IDO1 (0.67) IDO1ALOX15MAPTKDM4EALDH1A1
SCHEMBL24878409 0.91 IDO1 (0.74) IDO1ALOX15MAPTKDM4EALDH1A1
SCHEMBL24878410 0.91 IDO1 (0.74) IDO1ALOX15MAPTKDM4EALDH1A1
SCHEMBL24878164 0.91 IDO1 (0.74) IDO1ALOX15MAPTKDM4EALDH1A1
SCHEMBL30128822 0.91 IDO1 (0.74) IDO1ALOX15MAPTKDM4EALDH1A1

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 1/4885ALOX15 633/4885MAPT 2271/4885

“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.