SCHEMBL2800426

SCHEMBL2800426

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.41
IDO1 P14902 1/20 0.41
TP53 P04637 1/20 0.40
PDE4B Q07343 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SCD O00767 1/20 0.36
PRSS1 P07477 6/20 0.35
PRSS2 P07478 6/20 0.35
PRSS3 P35030 6/20 0.35
DHODH Q02127 1/20 0.35
TLR4 O00206 1/20 0.34
RAB9A P51151 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 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
SCHEMBL2801799 0.93 IDO1 (0.43) AVPR1AIDO1TP53PDE4BALDH1A1
SCHEMBL2801503 0.92 AVPR1A (0.42) AVPR1AIDO1TP53PDE4BALDH1A1
SCHEMBL2803190 0.91 AVPR1A (0.40) AVPR1AIDO1TP53ALDH1A1KDM4E
SCHEMBL2802251 0.90 TP53 (0.36) AVPR1AIDO1TP53ALDH1A1KDM4E
SCHEMBL2803802 0.89 AVPR1A (0.37) AVPR1AIDO1TP53PDE4BALDH1A1
SCHEMBL2801774 0.89 AVPR1A (0.41) AVPR1AIDO1TP53PDE4BKDM4E
SCHEMBL2801328 0.89 TP53 (0.37) TP53PDE4BALDH1A1KDM4EHSD17B10
SCHEMBL2801919 0.88 AVPR1A (0.37) AVPR1AIDO1TP53ALDH1A1KDM4E
SCHEMBL2801651 0.88 IDO1 (0.41) AVPR1AIDO1TP53PDE4BALDH1A1
SCHEMBL2799126 0.85 PRSS1 (0.39) AVPR1AIDO1PDE4BALDH1A1HSD17B10

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 2086/4885TP53 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.