SCHEMBL23988411

SCHEMBL23988411

COCCCOc1ccnc(CC(O)c2nc3cc(OC(F)(F)F)ccc3[nH]2)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.47
WDR5 P61964 4/20 0.47
CYP2C9 P11712 4/20 0.43
ENGASE Q8NFI3 3/20 0.43
DDAH1 O94760 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 2/20 0.43
TBXA2R P21731 2/20 0.43
NPY1R P25929 2/20 0.43
ADORA1 P30542 2/20 0.43
OPRM1 P35372 2/20 0.43
HTR3A P46098 2/20 0.43
FASN P49327 2/20 0.43
SARM1 Q6SZW1 2/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
PTGS1 P23219 2/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL23988405 0.90 KMT2A (0.57) KMT2AWDR5CYP2C9ENGASEDDAH1
SCHEMBL23988403 0.90 KMT2A (0.46) KMT2AWDR5CYP2C9ENGASEDDAH1
SCHEMBL23988445 0.90 ATP4A (0.47) KMT2AWDR5CYP2C9DDAH1ALDH1A1
SCHEMBL23988586 0.89 KMT2A (0.41) KMT2AWDR5CYP2C9ENGASEDDAH1
SCHEMBL23988588 0.89 NPC1 (0.46) KMT2AWDR5CYP2C9ENGASEDDAH1
SCHEMBL23988489 0.83 RUNX1 (0.51) KMT2ACYP2C9DDAH1ALDH1A1LMNA
SCHEMBL23988357 0.82 KMT2A (0.61) KMT2AWDR5CYP2C9ENGASEDDAH1
SCHEMBL23988402 0.82 NPC1 (0.46) KMT2AWDR5CYP2C9ENGASEDDAH1
SCHEMBL23988503 0.82 KMT2A (0.49) KMT2AWDR5CYP2C9ENGASEDDAH1
SCHEMBL23988413 0.80 ATP4A (0.43) KMT2AWDR5CYP2C9DDAH1ALDH1A1

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 KMT2A 3380/4885WDR5 3395/4885CYP2C9 4152/4885
US-20210338650-A1 CXCL10 Inhibitors CXCL10, CCL5, CCL11 KMT2A 3380/4885WDR5 3395/4885CYP2C9 4152/4885

“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.