SCHEMBL23988262

SCHEMBL23988262

Cc1c(OCC(F)(F)F)ccnc1CC(O)c1nc2ccccc2[nH]1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.63
CYP3A4 P08684 3/20 0.63
NPC1 O15118 2/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2D6 P10635 2/20 0.63
CYP2C19 P33261 2/20 0.63
RAB9A P51151 2/20 0.63
MAPT P10636 5/20 0.61
KMT2A Q03164 4/20 0.61
WDR5 P61964 3/20 0.61
ENGASE Q8NFI3 3/20 0.61
SARM1 Q6SZW1 3/20 0.61
ALDH1A1 P00352 3/20 0.61
DDAH1 O94760 2/20 0.61
LMNA P02545 2/20 0.61
ADORA3 P0DMS8 2/20 0.61
HPGD P15428 2/20 0.61
TBXA2R P21731 2/20 0.61
NPY1R P25929 2/20 0.61
ADORA1 P30542 2/20 0.61

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
SCHEMBL23988494 0.86 CYP2C9 (0.47) CYP2C9CYP3A4NPC1CYP1A2CYP2D6
SCHEMBL23988402 0.85 NPC1 (0.46) CYP2C9CYP3A4NPC1CYP1A2CYP2D6
SCHEMBL23988588 0.85 NPC1 (0.46) CYP2C9CYP3A4NPC1CYP1A2CYP2D6
SCHEMBL23988274 0.84 CYP2C9 (0.46) CYP2C9CYP3A4NPC1CYP1A2CYP2D6
SCHEMBL23988401 0.84 CYP3A4 (0.45) CYP2C9CYP3A4NPC1CYP1A2CYP2D6
SCHEMBL23988357 0.84 KMT2A (0.61) CYP2C9CYP3A4NPC1CYP1A2CYP2D6
SCHEMBL23988407 0.83 SARM1 (0.61) CYP2C9CYP3A4NPC1CYP1A2CYP2D6
Lansoprazole Sulfide SCHEMBL1681462 0.79 RAB9A (0.90) CYP2C9CYP3A4NPC1CYP1A2CYP2D6
SCHEMBL23988433 0.78 CYP2C9 (0.63) CYP2C9CYP3A4NPC1CYP1A2CYP2D6
SCHEMBL13607834 0.78 MAPT (0.63) CYP2C9CYP3A4NPC1CYP1A2CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220202796-A1 CXCL10 Inhibitors LAPKO INC, dba AFECTA PHARMACEUTICALS 2022-06-30 US disclosed
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 (2 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-20220202796-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 CYP2C9 4152/4885CYP3A4 4635/4885NPC1 1955/4885
US-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 CYP2C9 4152/4885CYP3A4 4635/4885NPC1 1955/4885

“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.