SCHEMBL2803620

SCHEMBL2803620

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3cc(C)ccc3Cl)c(C(=O)N3CCC(F)(c4ccccc4)CC3)cnc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.36
HTR1A P08908 2/20 0.34
SPR P35270 1/20 0.34
ALDH1A1 P00352 6/20 0.34
TP53 P04637 1/20 0.34
FASN P49327 6/20 0.34
SCD5 Q86SK9 1/20 0.34
KDM4E B2RXH2 3/20 0.33
TSHR P16473 3/20 0.33
USP2 O75604 2/20 0.33
TLR4 O00206 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
CNR1 P21554 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
SCHEMBL2803131 0.93 TP53 (0.38) HTR1AALDH1A1TP53FASNSCD5
SCHEMBL2801080 0.92 ALDH1A1 (0.36) HTR1ASPRALDH1A1FASNSCD5
SCHEMBL2801547 0.90 TP53 (0.38) P2RX7HTR1ASPRALDH1A1TP53
SCHEMBL2801306 0.88 NPC1 (0.41) ALDH1A1TP53KDM4ETSHRUSP2
SCHEMBL2800821 0.87 ALDH1A1 (0.39) ALDH1A1FASNSCD5
SCHEMBL2802527 0.87 SPR (0.37) SPRFASNMEN1KMT2A
SCHEMBL2799996 0.86 SIRT5 (0.40) SPRALDH1A1TP53FASNKMT2A
SCHEMBL2800047 0.83 IDO1 (0.34) ALDH1A1KDM4ETLR4HPGDMEN1
SCHEMBL2803186 0.82 FASN (0.38) SPRALDH1A1FASN
SCHEMBL2800858 0.82 TP53 (0.42) HTR1ASPRALDH1A1TP53FASN

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 P2RX7 2231/4885HTR1A 4733/4885SPR 2955/4885

“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.