SCHEMBL2801682

SCHEMBL2801682

CCOC(=O)c1cnn2c(Nc3ccc(F)cc3C)c(C(=O)OC)cnc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HPGD P15428 4/20 0.48
HSD17B10 Q99714 4/20 0.48
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
PDE4B Q07343 2/20 0.42
CSNK1D P48730 1/20 0.42
MAPT P10636 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
PAX8 Q06710 1/20 0.41

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
SCHEMBL2799881 0.92 KDM4E (0.50) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2801720 0.89 ALDH1A1 (0.46) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14471718 0.86 ALDH1A1 (0.44) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2801451 0.85 KDM4E (0.50) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2803123 0.84 KDM4E (0.52) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14471655 0.84 ALDH1A1 (0.42) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2800918 0.83 KDM4E (0.42) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14471746 0.83 ALDH1A1 (0.43) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2800555 0.83 KDM4E (0.50) KDM4ENPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL14471715 0.82 THRB (0.41) KDM4ENPC1RAB9AALDH1A1SMN1; 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 KDM4E 3180/4885NPC1 1787/4885RAB9A 3259/4885

“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.