SCHEMBL2801919

SCHEMBL2801919

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.37
IDO1 P14902 1/20 0.36
TP53 P04637 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
TLR4 O00206 1/20 0.32
SCD O00767 1/20 0.32
NPY5R Q15761 1/20 0.31
POLB P06746 2/20 0.31
CNR2 P34972 2/20 0.31
CNR1 P21554 1/20 0.31
PRSS1 P07477 2/20 0.31
PRSS2 P07478 2/20 0.31
PRSS3 P35030 2/20 0.31
MAPT P10636 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
SCHEMBL2803095 0.94 AVPR1A (0.37) AVPR1AIDO1ALDH1A1KDM4EHSD17B10
SCHEMBL2801429 0.92 ALDH1A1 (0.32) IDO1TP53ALDH1A1KDM4EHSD17B10
SCHEMBL2803802 0.91 AVPR1A (0.37) AVPR1AIDO1TP53ALDH1A1KDM4E
SCHEMBL2800426 0.88 AVPR1A (0.41) AVPR1AIDO1TP53ALDH1A1KDM4E
SCHEMBL2803208 0.86 ALDH1A1 (0.32) ALDH1A1KDM4EHSD17B10LMNAHPGD
SCHEMBL2800425 0.86 PDE2A (0.35) AVPR1AIDO1ALDH1A1KDM4ETLR4
SCHEMBL2803190 0.84 AVPR1A (0.40) AVPR1AIDO1TP53ALDH1A1KDM4E
SCHEMBL2802960 0.84 IDO1 (0.39) AVPR1AIDO1TP53ALDH1A1KDM4E
SCHEMBL2801703 0.84 IDO1 (0.38) AVPR1AIDO1SCDPRSS1PRSS2
SCHEMBL2801581 0.82 ALDH1A1 (0.33) IDO1TP53ALDH1A1KDM4EHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2086/4885TP53 241/4885

“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.