SCHEMBL2801762

SCHEMBL2801762

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3cccc(F)c3Cl)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.39
ALDH1A1 P00352 5/20 0.38
SIRT5 Q9NXA8 1/20 0.37
MGLL Q99685 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
CCKBR P32239 1/20 0.36
MAPT P10636 1/20 0.36
CXCR2 P25025 1/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
TPSAB1 Q15661 1/20 0.35
SCN9A Q15858 1/20 0.35
HPGD P15428 1/20 0.34
RBP4 P02753 1/20 0.34
SPR P35270 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL2802799 0.92 ALDH1A1 (0.40) EGLN1ALDH1A1SIRT5KDM4EMEN1
SCHEMBL2800478 0.90 SIRT5 (0.46) EGLN1ALDH1A1SIRT5MGLLCCKBR
SCHEMBL2801637 0.90 SIRT5 (0.41) EGLN1ALDH1A1SIRT5MGLLLMNA
SCHEMBL2799384 0.89 NPC1 (0.38) EGLN1ALDH1A1SIRT5KMT2AMAPT
SCHEMBL2801754 0.88 ALDH1A1 (0.42) EGLN1ALDH1A1SIRT5CCKBRMAPT
SCHEMBL2800588 0.88 ALDH1A1 (0.42) EGLN1ALDH1A1SIRT5MGLLKDM4E
SCHEMBL2803213 0.88 NPC1 (0.40) ALDH1A1SIRT5KMT2ATP53SPR
SCHEMBL2801510 0.88 EGLN1 (0.38) EGLN1ALDH1A1SIRT5SPR
SCHEMBL2800842 0.88 ALDH1A1 (0.38) EGLN1ALDH1A1KDM4EKMT2ACCKBR
SCHEMBL2803776 0.86 SPR (0.38) ALDH1A1SIRT5KDM4ELMNAKMT2A

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 EGLN1 1967/4885ALDH1A1 243/4885SIRT5 2237/4885

“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.