SCHEMBL2801064

SCHEMBL2801064

CCOC(=O)c1cnn2c(Nc3cccc(C)c3F)c(C(=O)N3CCC4(CC3)COc3ccccc34)cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.39
IDO1 P14902 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 3/20 0.37
ALDH1A1 P00352 2/20 0.36
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
BRAF P15056 5/20 0.34
HSD17B10 Q99714 2/20 0.34
TP53 P04637 1/20 0.34
STAT1 P42224 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
PRSS1 P07477 1/20 0.34

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
SCHEMBL2801651 0.91 IDO1 (0.41) AVPR1AIDO1KDM4EALDH1A1TP53
SCHEMBL2800216 0.89 AVPR1A (0.41) AVPR1AIDO1NPC1RAB9AKDM4E
SCHEMBL2803190 0.89 AVPR1A (0.40) AVPR1AIDO1NPC1RAB9AKDM4E
SCHEMBL2800768 0.88 IDO1 (0.37) AVPR1AIDO1HPGDALDH1A1HSD17B10
SCHEMBL2801628 0.88 HPGD (0.38) AVPR1ANPC1RAB9AKDM4EHPGD
SCHEMBL2803317 0.87 KDR (0.44) AVPR1AIDO1NPC1RAB9AKDM4E
SCHEMBL2799661 0.84 KDM4E (0.38) IDO1NPC1RAB9AKDM4EHPGD
SCHEMBL2801799 0.84 IDO1 (0.43) AVPR1AIDO1KDM4EHPGDALDH1A1
SCHEMBL2802452 0.84 AVPR1A (0.44) AVPR1AIDO1NPC1RAB9AKDM4E
SCHEMBL2801299 0.84 AVPR1A (0.47) AVPR1AIDO1NPC1RAB9AKDM4E

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 AVPR1A 4789/4885IDO1 2086/4885NPC1 1787/4885

“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.