SCHEMBL2800425

SCHEMBL2800425

Cc1ccc(Cl)c(Nc2c(C(=O)N3CCC4(CC3)COc3cc(F)ccc34)cnc3c(C(=O)NS(=O)(=O)C4CC4)cnn23)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 3/20 0.35
SCN9A Q15858 7/20 0.34
IDO1 P14902 2/20 0.33
TDO2 P48775 2/20 0.33
SCN5A Q14524 2/20 0.33
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
TLR4 O00206 1/20 0.32
PDE10A Q9Y233 1/20 0.32
SCN4A P35499 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
AVPR1A P37288 1/20 0.31
S1PR5 Q9H228 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
SCHEMBL2801429 0.94 ALDH1A1 (0.32) PDE2ASCN9AIDO1TDO2SCN5A
SCHEMBL2800047 0.91 IDO1 (0.34) PDE2AIDO1TDO2ALDH1A1KDM4E
SCHEMBL2799864 0.89 IDO1 (0.37) IDO1TDO2ALDH1A1KDM4ETLR4
SCHEMBL2803095 0.87 AVPR1A (0.37) PDE2ASCN9AIDO1SCN5AALDH1A1
SCHEMBL2801919 0.86 AVPR1A (0.37) IDO1ALDH1A1KDM4ETLR4CNR1
SCHEMBL2801581 0.85 ALDH1A1 (0.33) IDO1TDO2ALDH1A1KDM4ETLR4
SCHEMBL2799602 0.85 IDO1 (0.33) PDE2AIDO1TDO2ALDH1A1KDM4E
SCHEMBL2801354 0.85 NPC1 (0.38) IDO1TDO2ALDH1A1KDM4EAVPR1A
SCHEMBL2803208 0.83 ALDH1A1 (0.32) PDE2ASCN9ASCN5AALDH1A1KDM4E
SCHEMBL2802330 0.83 IDO1 (0.36) PDE2AIDO1TDO2ALDH1A1KDM4E

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 PDE2A 813/4885SCN9A 815/4885IDO1 2086/4885

“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.