SCHEMBL2801503

SCHEMBL2801503

Cc1ccc(F)c(Nc2c(C(=O)N3CCC4(CC3)COc3ccccc34)cnc3c(C(=O)O)cnn23)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.42
IDO1 P14902 2/20 0.41
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 1/20 0.35
TLR4 O00206 1/20 0.35
TP53 P04637 1/20 0.34
CYP46A1 Q9Y6A2 1/20 0.34
NPY5R Q15761 1/20 0.34
PRSS1 P07477 4/20 0.34
PRSS2 P07478 4/20 0.34
PRSS3 P35030 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4B Q07343 1/20 0.34
TDO2 P48775 1/20 0.34
MT-CO1 P00395 1/20 0.34
CCKAR P32238 1/20 0.34
CNR2 P34972 1/20 0.34
SCD O00767 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL2800426 0.92 AVPR1A (0.41) AVPR1AIDO1ALDH1A1KDM4ETLR4
SCHEMBL2802330 0.92 IDO1 (0.36) AVPR1AIDO1ALDH1A1KDM4ETLR4
SCHEMBL2800216 0.92 AVPR1A (0.41) AVPR1AIDO1ALDH1A1KDM4ETP53
SCHEMBL2800965 0.90 DHODH (0.35) ALDH1A1KDM4ETLR4TP53CYP46A1
SCHEMBL2803095 0.89 AVPR1A (0.37) AVPR1AIDO1ALDH1A1KDM4ETLR4
SCHEMBL2801799 0.88 IDO1 (0.43) AVPR1AIDO1ALDH1A1KDM4ETP53
SCHEMBL2801774 0.88 AVPR1A (0.41) AVPR1AIDO1KDM4ETP53PRSS1
SCHEMBL2801651 0.88 IDO1 (0.41) AVPR1AIDO1ALDH1A1KDM4ETLR4
SCHEMBL2800205 0.87 RBP4 (0.46) ALDH1A1KDM4ETLR4TP53CYP46A1
SCHEMBL2801328 0.86 TP53 (0.37) ALDH1A1KDM4ETLR4TP53CYP46A1

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 2086/4885ALDH1A1 243/4885

“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.