SCHEMBL2802831

SCHEMBL2802831

CCOC(=O)c1cnn2c(Nc3cc(C)ccc3F)c(C(=O)N3CCC(c4ccc(F)c(F)c4)CC3)cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 6/20 0.40
HSD17B10 Q99714 5/20 0.40
HPGD P15428 2/20 0.40
RECQL P46063 1/20 0.39
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
USP2 O75604 1/20 0.37
KMT2A Q03164 1/20 0.37
KDR P35968 1/20 0.37
GUCY1A1 Q02108 5/20 0.36
GUCY1B1 Q02153 5/20 0.36
NTRK1 P04629 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRAF P15056 1/20 0.36
LMNA P02545 2/20 0.35
TP53 P04637 2/20 0.35
MAPT P10636 2/20 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
SCHEMBL2800599 0.95 KDM4E (0.39) KDM4ENPC1RAB9AALDH1A1HSD17B10
SCHEMBL2799695 0.94 KDM4E (0.41) KDM4ENPC1RAB9AALDH1A1HSD17B10
SCHEMBL2801458 0.92 KDM4E (0.39) KDM4ENPC1RAB9AALDH1A1HSD17B10
SCHEMBL2799696 0.92 TP53 (0.41) KDM4ENPC1RAB9AALDH1A1HSD17B10
SCHEMBL2801212 0.91 DHODH (0.37) KDM4EALDH1A1LMNATP53MAPT
SCHEMBL2800942 0.88 TP53 (0.40) KDM4ENPC1RAB9AALDH1A1HSD17B10
SCHEMBL2799537 0.87 RECQL (0.36) KDM4EALDH1A1HSD17B10HPGDRECQL
SCHEMBL2798931 0.87 SPR (0.41) KDM4ENPC1RAB9AALDH1A1HSD17B10
SCHEMBL2801551 0.86 FASN (0.39) KDM4EALDH1A1HSD17B10HPGDLMNA
SCHEMBL2800432 0.85 KDM4E (0.41) KDM4ENPC1RAB9AALDH1A1HSD17B10

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 KDM4E 3180/4885NPC1 1787/4885RAB9A 3259/4885

“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.