SCHEMBL2801661

SCHEMBL2801661

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3ccc(C)cc3)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
OPRM1 P35372 1/20 0.39
TP53 P04637 3/20 0.38
SPR P35270 3/20 0.38
TRPC3 Q13507 1/20 0.37
TRPC6 Q9Y210 1/20 0.37
KDM4E B2RXH2 2/20 0.37
EGLN1 Q9GZT9 2/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 2/20 0.36
FASN P49327 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL2802494 0.92 DRD2 (0.42) PDE4BSMN1; SMN2OPRM1TP53SPR
SCHEMBL2803213 0.90 NPC1 (0.40) PDE4BOPRM1TP53SPRALDH1A1
SCHEMBL2802165 0.90 ALDH1A1 (0.38) PDE4BSMN1; SMN2TP53SPREGLN1
SCHEMBL2800861 0.89 TP53 (0.39) PDE4BSMN1; SMN2OPRM1TP53SPR
SCHEMBL2801606 0.88 PDE4B (0.48) PDE4BSMN1; SMN2OPRM1TP53SPR
SCHEMBL2803776 0.88 SPR (0.38) PDE4BSMN1; SMN2OPRM1SPRKDM4E
SCHEMBL2801510 0.88 EGLN1 (0.38) PDE4BOPRM1SPREGLN1ALDH1A1
SCHEMBL2800842 0.88 ALDH1A1 (0.38) SMN1; SMN2OPRM1TP53SPRKDM4E
SCHEMBL2799996 0.88 SIRT5 (0.40) SMN1; SMN2OPRM1TP53SPREGLN1
SCHEMBL2800478 0.87 SIRT5 (0.46) SMN1; SMN2SPRTRPC3TRPC6EGLN1

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 PDE4B 1603/4885SMN1; SMN2 2769/4885OPRM1 4885/4885

“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.