SCHEMBL23988394

SCHEMBL23988394

COCCCOc1ccnc(C[S@+]([O-])c2nc3cc(OC)ccc3[nH]2)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
CYP2C9 P11712 4/20 0.46
WDR5 P61964 4/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
ENGASE Q8NFI3 3/20 0.46
DDAH1 O94760 2/20 0.46
LMNA P02545 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
OPRM1 P35372 2/20 0.46
HTR3A P46098 2/20 0.46
FASN P49327 2/20 0.46
SARM1 Q6SZW1 2/20 0.46
ABCG2 Q9UNQ0 2/20 0.46
HTR1A P08908 1/20 0.46
IDE P14735 1/20 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
SCHEMBL8503315 1.00 KMT2A (0.46) KMT2ACYP2C9WDR5ALDH1A1MAPT
SCHEMBL23988383 1.00 KMT2A (0.46) KMT2ACYP2C9WDR5ALDH1A1MAPT
SCHEMBL8548759 0.94 KMT2A (0.40) KMT2ACYP2C9WDR5ALDH1A1MAPT
SCHEMBL8548748 0.94 KMT2A (0.40) KMT2ACYP2C9WDR5ALDH1A1MAPT
SCHEMBL8502645 0.93 ALDH1A1 (0.39) KMT2ACYP2C9WDR5ALDH1A1MAPT
SCHEMBL8504605 0.91 TLR8 (0.38) KMT2ACYP2C9WDR5ALDH1A1MAPT
SCHEMBL8548236 0.90 CYP2C9 (0.47) KMT2ACYP2C9WDR5ALDH1A1MAPT
SCHEMBL23988601 0.90 WDR5 (0.57) KMT2ACYP2C9WDR5ALDH1A1MAPT
SCHEMBL23988400 0.90 WDR5 (0.45) KMT2ACYP2C9WDR5ALDH1A1MAPT
SCHEMBL4980099 0.90 WDR5 (0.57) KMT2ACYP2C9WDR5ALDH1A1MAPT

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

“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.