SCHEMBL2801190

SCHEMBL2801190

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.43
F11 P03951 1/20 0.41
FASN P49327 6/20 0.41
PDE4B Q07343 1/20 0.39
SPR P35270 2/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
MGLL Q99685 1/20 0.37

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
SCHEMBL2799653 0.92 NPC1 (0.42) TP53F11FASNPDE4BSPR
SCHEMBL2802498 0.92 ALDH1A1 (0.40) TP53F11FASNPDE4BSPR
SCHEMBL2799436 0.91 TP53 (0.44) TP53F11FASNPDE4BSPR
SCHEMBL2800540 0.90 TAS2R14 (0.43) F11FASNPDE4BALDH1A1HTT
SCHEMBL15915009 0.89 TP53 (0.41) TP53F11FASNPDE4BSPR
SCHEMBL2801855 0.88 PDE4B (0.46) TP53F11PDE4BSPRALDH1A1
SCHEMBL2801491 0.87 DRD2 (0.45) TP53F11PDE4BSPRALDH1A1
SCHEMBL2799428 0.87 ALDH1A1 (0.46) F11FASNPDE4BSPRALDH1A1
SCHEMBL2800432 0.86 KDM4E (0.41) TP53F11PDE4BALDH1A1KMT2A
SCHEMBL2800807 0.85 SIRT5 (0.43) TP53F11PDE4BSPRALDH1A1

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 241/4885F11 2117/4885FASN 4286/4885

“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.