SCHEMBL2802186

SCHEMBL2802186

CS(=O)(=O)NC(=O)c1cnn2c(NCc3cccnc3)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 13/20 0.43
NAMPT P43490 1/20 0.43
ALDH1A1 P00352 2/20 0.38
TPSAB1 Q15661 1/20 0.38
SCD O00767 1/20 0.38
SCD5 Q86SK9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL2799687 0.94 STAT6 (0.40) ALDH1A1TPSAB1SCD5KDM4EHPGD
SCHEMBL2801219 0.91 VNN1 (0.48) VNN1NAMPTTPSAB1SCDSCD5
SCHEMBL2798553 0.90 THRB (0.37) VNN1ALDH1A1TPSAB1KDM4EHPGD
SCHEMBL2802391 0.89 SMN1; SMN2 (0.41) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2800864 0.89 CCR1 (0.42)
SCHEMBL2802693 0.89 TP53 (0.41) ALDH1A1
SCHEMBL2800890 0.88 NTRK1 (0.40) ALDH1A1TPSAB1SCD5
SCHEMBL2801433 0.88 TP53 (0.39) ALDH1A1TPSAB1KDM4EHPGDHSD17B10
SCHEMBL2802824 0.88 STAT6 (0.39) ALDH1A1TPSAB1SCD5MGLL
SCHEMBL2804072 0.88 STAT6 (0.41) ALDH1A1TPSAB1SCDSCD5KDM4E

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
EP-2206714-B1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO LTD (JP) 2015-01-21 EP disclosed
US-8729264-B2 Agent for prevention and/or treatment of skin diseases KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-05-20 US disclosed
US-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-10-07 US disclosed
EP-2206714-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES Kyowa Hakko Kirin Co., Ltd. (JP) 2010-07-14 EP 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-20100256134-A1 AGENT FOR PREVENTION AND/OR TREATMENT OF SKIN DISEASES TYR, CUTA, SERPINB1 VNN1 1063/4885NAMPT 266/4885ALDH1A1 243/4885

“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.