SCHEMBL2799696

SCHEMBL2799696

CCOC(=O)c1cnn2c(Nc3cc(C)ccc3F)c(C(=O)N3CCC(c4ccc(OC)cc4)CC3)cnc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
PDE4B Q07343 1/20 0.39
KDM4E B2RXH2 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 2/20 0.38
FASN P49327 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
TRPC6 Q9Y210 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
SCHEMBL2799695 0.93 KDM4E (0.41) TP53PDE4BKDM4ENPC1RAB9A
SCHEMBL2802831 0.92 KDM4E (0.40) TP53KDM4ENPC1RAB9AALDH1A1
SCHEMBL2800966 0.92 FASN (0.40) TP53KDM4EALDH1A1HPGDFASN
SCHEMBL2801458 0.90 KDM4E (0.39) TP53KDM4ENPC1RAB9AALDH1A1
SCHEMBL2803063 0.89 FASN (0.39) TP53KDM4EALDH1A1HPGDFASN
SCHEMBL2800599 0.88 KDM4E (0.39) TP53KDM4ENPC1RAB9AALDH1A1
SCHEMBL2800942 0.86 TP53 (0.40) TP53KDM4ENPC1RAB9AALDH1A1
SCHEMBL2798931 0.85 SPR (0.41) TP53KDM4ENPC1RAB9AALDH1A1
SCHEMBL2800432 0.84 KDM4E (0.41) TP53PDE4BKDM4ENPC1RAB9A
SCHEMBL2799735 0.84 FASN (0.40) TP53NPC1RAB9AALDH1A1FASN

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 TP53 241/4885PDE4B 1603/4885KDM4E 3180/4885

“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.