SCHEMBL2801754

SCHEMBL2801754

CCS(=O)(=O)NC(=O)c1cnn2c(Nc3ccc(F)cc3Cl)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
SIRT5 Q9NXA8 3/20 0.39
EGLN1 Q9GZT9 5/20 0.39
PDE2A O00408 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
SCN9A Q15858 1/20 0.37
PRSS12 P56730 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
CCKBR P32239 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
SCHEMBL2800033 0.92 ALDH1A1 (0.43) ALDH1A1EGLN1SCN9ASMN1; SMN2
SCHEMBL2800478 0.92 SIRT5 (0.46) ALDH1A1SIRT5EGLN1SMN1; SMN2SIRT2
SCHEMBL2800583 0.89 ALDH1A1 (0.47) ALDH1A1SIRT5EGLN1UBE2MDCUN1D1
SCHEMBL2801762 0.88 EGLN1 (0.39) ALDH1A1SIRT5EGLN1SCN9AMAPT
SCHEMBL2801637 0.88 SIRT5 (0.41) ALDH1A1SIRT5EGLN1SCN9ASMN1; SMN2
SCHEMBL2799996 0.88 SIRT5 (0.40) ALDH1A1SIRT5EGLN1SMN1; SMN2SIRT2
SCHEMBL2802170 0.88 FASN (0.41) ALDH1A1EGLN1SMN1; SMN2
SCHEMBL2803213 0.86 NPC1 (0.40) ALDH1A1SIRT5
SCHEMBL2801510 0.86 EGLN1 (0.38) ALDH1A1SIRT5EGLN1
SCHEMBL2800842 0.86 ALDH1A1 (0.38) ALDH1A1EGLN1SCN9ASMN1; SMN2MAPT

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

“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.