SCHEMBL2800359

SCHEMBL2800359

Cc1cc(F)ccc1Nc1c(C(=O)N2CCC(F)(c3ccccc3)CC2)cnc2c(C(=O)NS(=O)(=O)C3CC3)cnn12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 8/20 0.36
SCD5 Q86SK9 1/20 0.35
KCNH2 Q12809 1/20 0.35
FASN P49327 3/20 0.35
F11 P03951 1/20 0.35
SCN9A Q15858 1/20 0.34
MRGPRX1 Q96LB2 1/20 0.34
MAPK1 P28482 1/20 0.34
ALDH2 P05091 1/20 0.34
ALDH1A3 P47895 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
SCHEMBL2800821 0.90 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1SCD5KCNH2FASN
SCHEMBL2799803 0.88 PDE4B (0.38) SMN1; SMN2ALDH1A1SCD5KCNH2FASN
SCHEMBL2801140 0.87 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1SCN9AMRGPRX1
SCHEMBL2800835 0.86 MCHR2 (0.34) SMN1; SMN2ALDH1A1MRGPRX1
SCHEMBL2800486 0.86 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1SCN9AMRGPRX1
SCHEMBL2803186 0.86 FASN (0.38) ALDH1A1KCNH2FASN
SCHEMBL2800541 0.85 FASN (0.39) FASN
SCHEMBL2800917 0.84 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1SCN9A
SCHEMBL2801469 0.84 NPC1 (0.39) SMN1; SMN2ALDH1A1FASNMAPK1
SCHEMBL2800033 0.80 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1SCD5FASNF11

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 SMN1; SMN2 2769/4885ALDH1A1 243/4885SCD5 3304/4885

“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.