SCHEMBL2801869

SCHEMBL2801869

Cc1cc(F)ccc1Nc1c(C(=O)N2CCC3(C=Cc4ccccc43)CC2)cnc2c(C(=O)O)cnn12

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR2 Q969V1 2/20 0.37
NPC1L1 Q9UHC9 2/20 0.36
PDE4B Q07343 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FFAR1 O14842 1/20 0.35
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 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
SCHEMBL2803155 0.92 MCHR2 (0.38) MCHR2SMN1; SMN2ALDH1A1
SCHEMBL2800436 0.92 NPC1L1 (0.39) MCHR2NPC1L1PDE4BFFAR1HSD11B1
SCHEMBL2800570 0.90 NPC1L1 (0.39) MCHR2NPC1L1PDE4BFFAR1HSD11B1
SCHEMBL2801434 0.90 MCHR2 (0.38) MCHR2ALDH1A1MAPK1
SCHEMBL2800835 0.89 MCHR2 (0.34) MCHR2NPC1L1SMN1; SMN2ALDH1A1
SCHEMBL2800771 0.85 SMN1; SMN2 (0.36) PDE4BSMN1; SMN2ALDH1A1MAPK1
SCHEMBL2799803 0.84 PDE4B (0.38) PDE4BSMN1; SMN2ALDH1A1MAPK1
SCHEMBL2801665 0.84 RBP4 (0.46) PDE4BSMN1; SMN2HSD11B1ALDH1A1MAPK1
SCHEMBL2800424 0.84 ALDH1A1 (0.36) PDE4BSMN1; SMN2ALDH1A1MAPK1
SCHEMBL2801037 0.83 MCHR2 (0.38) MCHR2NPC1L1PDE4BFFAR1HSD11B1

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 MCHR2 4007/4885NPC1L1 3377/4885PDE4B 1603/4885

“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.