SCHEMBL2801221

SCHEMBL2801221

CCOC(=O)c1cnn2c(Nc3cc(C)ccc3F)c(C(=O)N3CCC4(C=Cc5ccccc54)CC3)cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR2 Q969V1 2/20 0.38
BRAF P15056 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
AOC3 Q16853 1/20 0.36
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
KDR P35968 1/20 0.35
HPGD P15428 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
FFAR1 O14842 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 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
SCHEMBL2803155 0.89 MCHR2 (0.38) MCHR2BRAFALDH1A1KDM4ENPC1
SCHEMBL2800978 0.85 ADRA1A (0.38) BRAFALDH1A1KDM4ENPC1RAB9A
SCHEMBL2800216 0.85 AVPR1A (0.41) BRAFALDH1A1KDM4ENPC1RAB9A
SCHEMBL2801172 0.85 OXTR (0.35) MCHR2ALDH1A1KDM4ETSHRHSD17B10
SCHEMBL2803128 0.83 BRAF (0.37) BRAFALDH1A1KDM4ENPC1RAB9A
SCHEMBL2799534 0.82 KDM4E (0.45) MCHR2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL2799664 0.82 MCHR2 (0.44) MCHR2ALDH1A1KDM4ENPC1RAB9A
SCHEMBL2800805 0.81 KDM4E (0.40) BRAFALDH1A1KDM4ENPC1RAB9A
SCHEMBL2800570 0.81 NPC1L1 (0.39) MCHR2FFAR1HSD11B1
SCHEMBL2802360 0.80 KDM4E (0.36) BRAFALDH1A1KDM4ENPC1RAB9A

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 4007/4885BRAF 111/4885ALDH1A1 243/4885

“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.