SCHEMBL2801151

SCHEMBL2801151

O=C(O)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC4(CC3)COc3c(F)cccc34)cnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 5/20 0.34
POLB P06746 1/20 0.34
ADORA3 P0DMS8 2/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 1/20 0.34
MAPK10 P53779 2/20 0.34
PRSS1 P07477 2/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SRC P12931 1/20 0.33
MAPK8 P45983 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 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
SCHEMBL2799919 0.92 CCNA2 (0.40) ALDH1A1POLBADORA3ADORA2AADORA1
SCHEMBL2799675 0.92 ALDH1A1 (0.34) TRPA1ALDH1A1POLBKDM4EMEN1
SCHEMBL2802426 0.88 IDO1 (0.43) ADORA3ADORA2AADORA1PRSS1PRSS2
SCHEMBL2801347 0.85 S1PR5 (0.38) ALDH1A1ADORA3ADORA2AMAPK10PRSS1
SCHEMBL16390772 0.83 GSK3B (0.38) TRPA1ALDH1A1ADORA3ADORA2AADORA1
SCHEMBL2802357 0.83 PDE4B (0.35) ALDH1A1SMN1; SMN2MAPT
SCHEMBL2801328 0.83 TP53 (0.37) ALDH1A1KDM4EMEN1LMNAHPGD
SCHEMBL2800965 0.83 DHODH (0.35) ALDH1A1KDM4EMEN1LMNAHPGD
SCHEMBL2802606 0.81 RBP4 (0.49) ALDH1A1ADORA3ADORA2AADORA1SRC
SCHEMBL2799515 0.81 ADORA3 (0.37) ALDH1A1ADORA3ADORA2AADORA1KDM4E

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 TRPA1 1076/4885ALDH1A1 243/4885POLB 2360/4885

“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.