SCHEMBL2800704

SCHEMBL2800704

CCOC(=O)c1cnn2c(Nc3cccnc3C)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 4/20 0.40
TSHR P16473 2/20 0.40
CYP2C19 P33261 1/20 0.40
TP53 P04637 1/20 0.40
STAT1 P42224 1/20 0.40
PDE4B Q07343 3/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.39
ADORA1 P30542 1/20 0.38
SPR P35270 1/20 0.38

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
SCHEMBL2800844 0.91 SPR (0.42) MAPTALDH1A1TP53PDE4BPOLB
SCHEMBL2800650 0.91 KDM4E (0.40) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2801512 0.90 HPGD (0.42) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2797885 0.88 KDM4E (0.42) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2799430 0.87 NPC1 (0.41) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2800432 0.87 KDM4E (0.41) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2803776 0.87 SPR (0.38) KDM4ESMN1; SMN2ALDH1A1HSD17B10TSHR
SCHEMBL2800610 0.86 NPC1 (0.42) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2798539 0.85 SPR (0.44) KDM4ENPC1RAB9ASMN1; SMN2MAPT
SCHEMBL2801492 0.85 SPR (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.