SCHEMBL2800545

SCHEMBL2800545

CCOC(=O)c1cnn2c(O)c(C(=O)N3CCC(F)(c4ccccc4)CC3)cnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 6/20 0.44
HPGD P15428 4/20 0.44
TP53 P04637 1/20 0.44
STAT1 P42224 1/20 0.44
TSHR P16473 3/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
CSNK1D P48730 1/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL2801589 0.90 KDM4E (0.47) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2801575 0.90 KDM4E (0.48) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16390987 0.82 ALDH1A1 (0.48) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2801469 0.82 NPC1 (0.39) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2800463 0.81 KDM4E (0.49) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2802034 0.81 KDM4E (0.45) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2801306 0.81 NPC1 (0.41) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2799642 0.81 KDM4E (0.47) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2801498 0.81 KDM4E (0.45) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2799534 0.81 KDM4E (0.45) KDM4ENPC1RAB9ASMN1; SMN2MAPT

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.