SCHEMBL2800575

SCHEMBL2800575

Cc1ccc(Nc2c(C(=O)N3CCC4(CC3)COc3cc(F)ccc34)cnc3c(C(=O)O)cnn23)cc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TLR4 O00206 1/20 0.37
PDE4B Q07343 2/20 0.36
IDO1 P14902 7/20 0.36
TDO2 P48775 7/20 0.36
DHODH Q02127 2/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PRSS1 P07477 1/20 0.34
PRSS2 P07478 1/20 0.34
PRSS3 P35030 1/20 0.34
RUVBL1 Q9Y265 1/20 0.33
KDR P35968 1/20 0.33
AVPR1A P37288 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
SCHEMBL2800889 0.92 PDE4B (0.39) ALDH1A1KDM4ETLR4PDE4BIDO1
SCHEMBL2801362 0.92 PDE4B (0.36) PDE4BIDO1TDO2
SCHEMBL2801436 0.91 SMN1; SMN2 (0.39) ALDH1A1KDM4EPDE4BHPGDHTT
SCHEMBL2802330 0.91 IDO1 (0.36) ALDH1A1KDM4ETLR4IDO1TDO2
SCHEMBL2802251 0.91 TP53 (0.36) ALDH1A1KDM4ETLR4IDO1TDO2
SCHEMBL2799864 0.90 IDO1 (0.37) ALDH1A1KDM4ETLR4IDO1TDO2
SCHEMBL2799530 0.90 IDO1 (0.36) ALDH1A1KDM4ETLR4PDE4BIDO1
SCHEMBL2803198 0.90 ALDH1A1 (0.34) ALDH1A1KDM4ETLR4PDE4BIDO1
SCHEMBL2801643 0.84 KDR (0.42) ALDH1A1KDM4EPDE4BHPGDHTT
SCHEMBL2800927 0.84 SMN1; SMN2 (0.39) ALDH1A1KDM4EPDE4BDHODHHPGD

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 ALDH1A1 243/4885KDM4E 3180/4885TLR4 804/4885

“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.