SCHEMBL2800978

SCHEMBL2800978

CCOC(=O)c1cnn2c(Nc3cc(C)ccc3F)c(C(=O)N3CCC4(CCc5ccccc54)CC3)cnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 5/20 0.38
MCHR1 Q99705 4/20 0.38
ALDH1A1 P00352 4/20 0.37
RBP4 P02753 1/20 0.37
KDM4E B2RXH2 4/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
BRAF P15056 1/20 0.36
KDR P35968 1/20 0.36
HPGDS O60760 1/20 0.36
HPGD P15428 4/20 0.35
HSD17B10 Q99714 4/20 0.35
TSHR P16473 2/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34
RELA Q04206 2/20 0.34
MAPT P10636 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
SCHEMBL2800205 0.91 RBP4 (0.46) ADRA1AMCHR1ALDH1A1RBP4KDM4E
SCHEMBL2801096 0.89 KDM4E (0.41) ALDH1A1RBP4KDM4ENPC1RAB9A
SCHEMBL2800975 0.89 RBP4 (0.37) ADRA1AMCHR1ALDH1A1RBP4KDM4E
SCHEMBL2801254 0.89 ADRA1A (0.36) ADRA1AMCHR1ALDH1A1RBP4HPGDS
SCHEMBL2800216 0.88 AVPR1A (0.41) ALDH1A1KDM4ENPC1RAB9ABRAF
SCHEMBL2803128 0.86 BRAF (0.37) ALDH1A1KDM4ENPC1RAB9ABRAF
SCHEMBL2801221 0.85 MCHR2 (0.38) ALDH1A1KDM4ENPC1RAB9ABRAF
SCHEMBL2802360 0.84 KDM4E (0.36) ALDH1A1KDM4ENPC1RAB9ABRAF
SCHEMBL2801052 0.82 ALDH1A1 (0.37) ALDH1A1KDM4ENPC1RAB9ABRAF
SCHEMBL2802034 0.82 KDM4E (0.45) ALDH1A1RBP4KDM4ENPC1RAB9A

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 ADRA1A 3142/4885MCHR1 3678/4885ALDH1A1 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.