SCHEMBL23959531

SCHEMBL23959531

Cc1ccccc1OC1CCN(C(=O)Cn2nc(C(O)N3CCC(O)(C(F)F)CC3)c3c2CCCC3)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
KMT2A Q03164 2/20 0.37
EPHX2 P34913 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNJ2 P63252 1/20 0.33
MDM2 Q00987 1/20 0.32
SCD O00767 6/20 0.32
HTR7 P34969 1/20 0.32

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
SCHEMBL21752500 0.86 ALOX15 (0.41) ALOX15KMT2AEPHX2NPC1RAB9A
SCHEMBL23959577 0.84 IDO1 (0.40) ALOX15KMT2AEPHX2NPC1RAB9A
SCHEMBL21752543 0.77 ALOX15 (0.41) ALOX15KMT2AEPHX2NPC1RAB9A
SCHEMBL21752632 0.76 SCD (0.47) ALOX15KMT2AEPHX2NPC1RAB9A
SCHEMBL21752661 0.76 ALOX15 (0.43) ALOX15KMT2AEPHX2NPC1RAB9A
SCHEMBL21752687 0.75 ALOX15 (0.42) ALOX15KMT2AEPHX2NPC1RAB9A
SCHEMBL21752710 0.75 ALOX15 (0.41) ALOX15KMT2AEPHX2NPC1RAB9A
SCHEMBL21752537 0.75 ALOX15 (0.42) ALOX15KMT2AEPHX2NPC1RAB9A
SCHEMBL21752575 0.74 ALOX15 (0.44) ALOX15KMT2AEPHX2NPC1RAB9A
SCHEMBL21752497 0.74 ALOX15 (0.42) ALOX15KMT2AEPHX2NPC1RAB9A

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-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-28 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-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, KYNU ALOX15 525/4885KMT2A 1461/4885EPHX2 918/4885

“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.