SCHEMBL23988430

SCHEMBL23988430

CCOc1ccnc(CC(C)(O)c2nc3ccccc3[nH]2)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C19 P33261 2/20 0.48
KMT2A Q03164 5/20 0.46
ALDH1A1 P00352 4/20 0.46
WDR5 P61964 3/20 0.46
ENGASE Q8NFI3 3/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
HSD17B10 Q99714 3/20 0.46
DDAH1 O94760 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
HPGD P15428 2/20 0.46
TBXA2R P21731 2/20 0.46
NPY1R P25929 2/20 0.46
ADORA1 P30542 2/20 0.46

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
SCHEMBL23988366 0.90 CYP2C9 (0.47) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL23988593 0.89 KMT2A (0.61) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL23988433 0.89 CYP2C9 (0.63) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL24572357 0.82 ATP4A (0.38) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL23988447 0.82 SARM1 (0.47) NPC1RAB9AKMT2AALDH1A1WDR5
SCHEMBL23988437 0.81 NPC1 (0.44) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL23988466 0.77 ATP4A (0.42) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL23988434 0.76 WDR5 (0.57) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL23988257 0.75 KMT2A (0.46) CYP2C9NPC1RAB9ACYP1A2CYP3A4
SCHEMBL23988421 0.74 CYP2C9 (0.46) CYP2C9NPC1RAB9ACYP1A2CYP3A4

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-20210338650-A1 CXCL10 Inhibitors AFECTA PHARMACEUTICALS, INC. (US) 2021-11-04 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-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 CYP2C9 4152/4885NPC1 1955/4885RAB9A 2387/4885

“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.