SCHEMBL2801547

SCHEMBL2801547

Cc1ccc(Cl)c(Nc2c(C(=O)N3CCC(F)(c4ccccc4)CC3)cnc3c(C(=O)O)cnn23)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.38
P2RX7 Q99572 1/20 0.37
CYP46A1 Q9Y6A2 1/20 0.37
SPR P35270 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
SCD5 Q86SK9 1/20 0.36
KDR P35968 2/20 0.36
PDE4B Q07343 1/20 0.36
FASN P49327 1/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 4/20 0.36
TLR4 O00206 1/20 0.36
HTR1A P08908 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35

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
SCHEMBL2800858 0.92 TP53 (0.42) TP53CYP46A1SPRSCD5PDE4B
SCHEMBL2801306 0.92 NPC1 (0.41) TP53KDRKDM4EALDH1A1MEN1
SCHEMBL2800983 0.91 CYP46A1 (0.37) TP53CYP46A1SPRSCD5KDR
SCHEMBL2803620 0.90 P2RX7 (0.36) TP53P2RX7CYP46A1SPRCNR1
SCHEMBL2800107 0.85 SPR (0.39) TP53SPRFASNKDM4EALDH1A1
SCHEMBL2799803 0.85 PDE4B (0.38) SPRSCD5PDE4BFASNALDH1A1
SCHEMBL2800415 0.84 SIRT5 (0.43) TP53SPRCNR1CNR2FASN
SCHEMBL2801731 0.84 TP53 (0.41) TP53CYP46A1SCD5PDE4BFASN
SCHEMBL2801518 0.83 CYP46A1 (0.36) TP53CYP46A1SPRSCD5PDE4B
SCHEMBL2803131 0.82 TP53 (0.38) TP53SCD5PDE4BFASNKDM4E

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 TP53 241/4885P2RX7 2231/4885CYP46A1 823/4885

“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.