SCHEMBL2800890

SCHEMBL2800890

CS(=O)(=O)NC(=O)c1cnn2c(NCc3cccc(F)c3)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 6/20 0.40
ALDH1A1 P00352 2/20 0.40
TPSAB1 Q15661 1/20 0.39
NPC1 O15118 1/20 0.39
EGLN1 Q9GZT9 2/20 0.38
CHRM4 P08173 1/20 0.38
NTRK3 Q16288 1/20 0.38
NTRK2 Q16620 1/20 0.38
SCN9A Q15858 1/20 0.38
TP53 P04637 2/20 0.37
SCD5 Q86SK9 1/20 0.37
SCN7A Q01118 1/20 0.37

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
SCHEMBL2800794 0.94 ALDH1A1 (0.41) NTRK1ALDH1A1TPSAB1NPC1EGLN1
SCHEMBL2799687 0.92 STAT6 (0.40) ALDH1A1TPSAB1EGLN1SCD5
SCHEMBL2802693 0.92 TP53 (0.41) ALDH1A1EGLN1CHRM4TP53SCN7A
SCHEMBL2801433 0.91 TP53 (0.39) ALDH1A1TPSAB1EGLN1SCN9ATP53
SCHEMBL2800791 0.91 ALDH1A1 (0.44) NTRK1ALDH1A1NPC1EGLN1CHRM4
SCHEMBL2799741 0.90 CHRM4 (0.40) ALDH1A1NPC1CHRM4TP53
SCHEMBL2803544 0.89 TPSAB1 (0.40) ALDH1A1TPSAB1NPC1TP53
SCHEMBL2802186 0.88 VNN1 (0.43) ALDH1A1TPSAB1SCD5
SCHEMBL2802391 0.88 SMN1; SMN2 (0.41) ALDH1A1NPC1EGLN1TP53
SCHEMBL2800864 0.87 CCR1 (0.42) CHRM4TP53

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 NTRK1 4857/4885ALDH1A1 243/4885TPSAB1 563/4885

“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.