SCHEMBL2800799

SCHEMBL2800799

CCOC(=O)c1cnn2c(NC(C)c3ccccc3)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.45
KDM4E B2RXH2 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
PPP1CA P62136 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 1/20 0.41
HSD17B10 Q99714 2/20 0.40
ADORA2A P29274 2/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
STAT1 P42224 1/20 0.40

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
SCHEMBL2801744 0.90 KCNH2 (0.44) KDM4EALDH1A1PRCPKCNH2HRH3
SCHEMBL2800626 0.85 KCNH2 (0.40) ALDH1A1PRCPKCNH2HRH3
SCHEMBL2799430 0.84 NPC1 (0.41) ADORA1KDM4ENPC1RAB9AALDH1A1
SCHEMBL2800801 0.84 ADORA1 (0.45) ADORA1KDM4ENPC1RAB9AALDH1A1
SCHEMBL2800704 0.84 KDM4E (0.43) ADORA1KDM4ENPC1RAB9AALDH1A1
SCHEMBL2800463 0.84 KDM4E (0.49) ADORA1KDM4ENPC1RAB9AALDH1A1
SCHEMBL2797885 0.83 KDM4E (0.42) ADORA1KDM4ENPC1RAB9AALDH1A1
SCHEMBL2801075 0.83 KDM4E (0.48) ADORA1KDM4ENPC1RAB9AALDH1A1
SCHEMBL2800432 0.83 KDM4E (0.41) KDM4ENPC1RAB9AALDH1A1LMNA
SCHEMBL2801257 0.83 PDE2A (0.44) KDM4ENPC1RAB9AALDH1A1TSHR

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 ADORA1 2960/4885KDM4E 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.