SCHEMBL2801524

SCHEMBL2801524

O=C(NS(=O)(=O)N1CCOCC1)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
PDE4B Q07343 1/20 0.37
FASN P49327 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
MCL1 Q07820 1/20 0.35
BCL2A1 Q16548 1/20 0.35
THRB P10828 1/20 0.35
STAT6 P42226 1/20 0.35
MERTK Q12866 1/20 0.35
ENPP2 Q13822 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL2801678 0.89 ALDH1A1 (0.44) ALDH1A1MAPTPDE4BKDM4EHSD17B10
SCHEMBL2805767 0.88 RBP4 (0.37) ALDH1A1HSD17B10TSHRTHRBSTAT6
SCHEMBL2799687 0.88 STAT6 (0.40) ALDH1A1KDM4EHPGDSMN1; SMN2THRB
SCHEMBL2804072 0.87 STAT6 (0.41) ALDH1A1KDM4EHPGDSMN1; SMN2THRB
SCHEMBL2799699 0.87 SPR (0.38) ALDH1A1THRBSTAT6ENPP2
SCHEMBL2802824 0.87 STAT6 (0.39) ALDH1A1PDE4BSMN1; SMN2THRBSTAT6
SCHEMBL2801068 0.87 RBP4 (0.39) ALDH1A1KDM4EHPGDTSHRSMN1; SMN2
SCHEMBL2803145 0.86 STAT6 (0.38) ALDH1A1KDM4EHPGDSMN1; SMN2THRB
SCHEMBL2800008 0.85 TPSAB1 (0.38) ALDH1A1THRBSTAT6ENPP2
SCHEMBL2800936 0.85 STAT6 (0.42) ALDH1A1POLBTHRBSTAT6ENPP2

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 ALDH1A1 243/4885MAPT 2533/4885PDE4B 1603/4885

“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.