SCHEMBL2801522

SCHEMBL2801522

CCOC(=O)c1cnn2c(Nc3cc(C)ccc3C)c(C(=O)N3CC=C(c4ccc(F)cc4)CC3)cnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 5/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 2/20 0.42
KDR P35968 1/20 0.39
USP2 O75604 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALOX15 P16050 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL2800783 0.91 MAPT (0.39) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2803136 0.88 ALDH1A1 (0.34) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2801242 0.84 KDM4E (0.40) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL16390812 0.83 KDM4E (0.41) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2798971 0.80 KDM4E (0.43) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL2800599 0.79 KDM4E (0.39) ALDH1A1KDM4ENPC1RAB9AHSD17B10
SCHEMBL2798931 0.79 SPR (0.41) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2799695 0.79 KDM4E (0.41) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2801683 0.79 KDM4E (0.36) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2803123 0.79 KDM4E (0.52) ALDH1A1KDM4ENPC1RAB9ASMN1; 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 ALDH1A1 243/4885KDM4E 3180/4885NPC1 1787/4885

“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.