SCHEMBL19949474

SCHEMBL19949474

COCCCOc1ccnc([SH](C)(=O)c2nc3ccccc3[nH]2)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.57
▸ CYP2C9 P11712 4/20 0.57
▸ WDR5 P61964 4/20 0.57
▸ LMNA P02545 4/20 0.57
▸ MAPT P10636 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ ENGASE Q8NFI3 3/20 0.57
▸ DDAH1 O94760 2/20 0.57
▸ ADORA3 P0DMS8 2/20 0.57
▸ HPGD P15428 2/20 0.57
▸ TBXA2R P21731 2/20 0.57
▸ NPY1R P25929 2/20 0.57
▸ ADORA1 P30542 2/20 0.57
▸ OPRM1 P35372 2/20 0.57
▸ HTR3A P46098 2/20 0.57
▸ FASN P49327 2/20 0.57
▸ SARM1 Q6SZW1 2/20 0.57
▸ ABCG2 Q9UNQ0 2/20 0.57
▸ HTR1A P08908 1/20 0.57
▸ IDE P14735 1/20 0.57

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
SCHEMBL28064578 0.99 KMT2A (0.56) KMT2ACYP2C9WDR5LMNAMAPT
SCHEMBL29186335 0.87 NPC1 (0.42) KMT2ACYP2C9WDR5LMNAMAPT
SCHEMBL27990433 0.86 ALDH1A1 (0.45) KMT2ACYP2C9WDR5LMNAMAPT
SCHEMBL14988972 0.83 MAPT (0.57) KMT2ACYP2C9WDR5LMNAMAPT
SCHEMBL18040452 0.83 CYP2C9 (0.41) KMT2ACYP2C9WDR5LMNAMAPT
SCHEMBL18040453 0.79 CYP2C9 (0.39) KMT2ACYP2C9WDR5LMNAMAPT
SCHEMBL23988369 0.73 CYP2C9 (0.63) KMT2ACYP2C9WDR5LMNAMAPT
SCHEMBL5483850 0.73 KMT2A (0.58) KMT2ACYP2C9WDR5LMNAMAPT
Rabeprazole SCHEMBL23337 0.73 KMT2A (0.61) KMT2ACYP2C9WDR5LMNAMAPT
Rabeprazole SCHEMBL23336 0.73 KMT2A (0.61) KMT2ACYP2C9WDR5LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102781419-A Skin lightening compositions ELC MAN LLC 2012-11-14 — — CN claimed
US-10940205-B2 Compositions of pharmaceutical actives containing diethylene glycol monoethyl ether or other alkyl derivatives THEMIS MEDICARE LIMITED (IN) 2021-03-09 — — US disclosed
US-20180071390-A1 COMPOSITIONS OF PHARMACEUTICAL ACTIVES CONTAINING DIETHYLENE GLYCOL MONOETHYL ETHER OR OTHER ALKYL DERIVATIVES THEMIS MEDICARE LIMITED (IN) 2018-03-15 — — US disclosed
CN-101365476-A Combination of a DPP-IV inhibitor and a gastrin compound WARATAH PHARMACEUTICALS INC (CA) 2009-02-11 — — CN 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-20180071390-A1 COMPOSITIONS OF PHARMACEUTICAL ACTIVES CONTAINING DIETHYLENE GLYCOL MONOETHYL ETHER OR OTHER ALKYL DERIVATIVES DSG1, DEGS1, PLA2G2E KMT2A 3440/4885CYP2C9 245/4885WDR5 872/4885
US-10940205-B2 Compositions of pharmaceutical actives containing diethylene glycol monoethyl ether or other alkyl derivatives DSG1, DEGS1, PLA2G2E KMT2A 3440/4885CYP2C9 245/4885WDR5 872/4885

“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.

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