SCHEMBL2803095

SCHEMBL2803095

Cc1ccc(F)c(Nc2c(C(=O)N3CCC4(CC3)COc3ccccc34)cnc3c(C(=O)NS(=O)(=O)C4CC4)cnn23)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.37
IDO1 P14902 1/20 0.37
NPY5R Q15761 1/20 0.33
ALDH1A1 P00352 6/20 0.33
KDM4E B2RXH2 2/20 0.33
TLR4 O00206 1/20 0.33
SCN9A Q15858 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RBP4 P02753 1/20 0.31
PDE2A O00408 2/20 0.31
HTR1A P08908 1/20 0.31
PDE10A Q9Y233 1/20 0.31
HSD17B10 Q99714 2/20 0.31
SCN4A P35499 1/20 0.31
SCN5A Q14524 1/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31

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
SCHEMBL2801919 0.94 AVPR1A (0.37) AVPR1AIDO1NPY5RALDH1A1KDM4E
SCHEMBL2803208 0.92 ALDH1A1 (0.32) ALDH1A1KDM4ETLR4SCN9APDE2A
SCHEMBL2801503 0.89 AVPR1A (0.42) AVPR1AIDO1NPY5RALDH1A1KDM4E
SCHEMBL2801429 0.88 ALDH1A1 (0.32) IDO1ALDH1A1KDM4ETLR4SCN9A
SCHEMBL2800425 0.87 PDE2A (0.35) AVPR1AIDO1ALDH1A1KDM4ETLR4
SCHEMBL2801172 0.86 OXTR (0.35) ALDH1A1KDM4ETLR4SCN9AHSD17B10
SCHEMBL2800216 0.85 AVPR1A (0.41) AVPR1AIDO1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2802567 0.84 EGLN1 (0.38) ALDH1A1KDM4ESCN9ARBP4HSD17B10
SCHEMBL2803802 0.84 AVPR1A (0.37) AVPR1AIDO1ALDH1A1KDM4ETLR4
SCHEMBL2799602 0.84 IDO1 (0.33) AVPR1AIDO1ALDH1A1KDM4ETLR4

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 2086/4885NPY5R 3423/4885

“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.