SCHEMBL2800540

SCHEMBL2800540

Cc1ccc(C(F)(F)F)cc1Nc1c(C(=O)N2CCC(c3ccccc3)CC2)cnc2c(Br)cnn12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.43
FASN P49327 8/20 0.40
F11 P03951 1/20 0.38
ALDH1A1 P00352 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
SMO Q99835 1/20 0.37
PDE4B Q07343 1/20 0.37
CNR2 P34972 1/20 0.37
SYK P43405 1/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RORC P51449 1/20 0.36

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
SCHEMBL2799694 0.92 TAS2R14 (0.48) TAS2R14FASNF11ALDH1A1EGLN1
SCHEMBL2801190 0.90 TP53 (0.43) FASNF11ALDH1A1PDE4BLMNA
SCHEMBL2799653 0.89 NPC1 (0.42) FASNF11ALDH1A1PDE4B
SCHEMBL2800542 0.85 RBP4 (0.41) TAS2R14FASNF11EGLN1CNR2
SCHEMBL2799428 0.85 ALDH1A1 (0.46) FASNF11ALDH1A1PDE4BKDM4E
SCHEMBL2802498 0.83 ALDH1A1 (0.40) FASNF11ALDH1A1EGLN1PDE4B
SCHEMBL2803133 0.83 ALDH1A1 (0.43) F11ALDH1A1EGLN1PDE4BKDM4E
SCHEMBL2800807 0.82 SIRT5 (0.43) F11ALDH1A1EGLN1PDE4BCNR2
SCHEMBL2799808 0.82 MGLL (0.40) FASNF11ALDH1A1PDE4BKDM4E
SCHEMBL2798420 0.82 SIRT5 (0.49) ALDH1A1EGLN1CNR2SMN1; SMN2

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 TAS2R14 3674/4885FASN 4286/4885F11 2117/4885

“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.