SCHEMBL2800432

SCHEMBL2800432

CCOC(=O)c1cnn2c(Nc3cc(C)ccc3C)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
HSD17B10 Q99714 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 4/20 0.41
TP53 P04637 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 4/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
KDR P35968 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 1/20 0.39
TSHR P16473 1/20 0.39
STAT1 P42224 1/20 0.39
OPRM1 P35372 1/20 0.39
MDM2 Q00987 1/20 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
SCHEMBL2800610 0.92 NPC1 (0.42) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL2799436 0.91 TP53 (0.44) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL2800599 0.89 KDM4E (0.39) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL2798931 0.89 SPR (0.41) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL2797885 0.88 KDM4E (0.42) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL2799430 0.88 NPC1 (0.41) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL2800704 0.87 KDM4E (0.43) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL2798971 0.87 KDM4E (0.43) KDM4ENPC1RAB9AHSD17B10ALDH1A1
SCHEMBL2800861 0.87 TP53 (0.39) NPC1RAB9AALDH1A1TP53SMN1; SMN2
SCHEMBL2801190 0.86 TP53 (0.43) NPC1RAB9AALDH1A1HPGDTP53

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.