SCHEMBL2801219

SCHEMBL2801219

O=C(O)c1cnn2c(NCc3cccnc3)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 14/20 0.48
NAMPT P43490 1/20 0.44
SCD O00767 1/20 0.42
SCD5 Q86SK9 1/20 0.42
MGLL Q99685 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
TPSAB1 Q15661 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
SCHEMBL2800936 0.93 STAT6 (0.42) MGLLKDM4C
SCHEMBL2800833 0.92 GSK3B (0.47) VNN1NAMPTSCDSCD5MGLL
SCHEMBL2802186 0.91 VNN1 (0.43) VNN1NAMPTSCDSCD5MGLL
SCHEMBL2800576 0.89 THRB (0.39) VNN1KDM4C
SCHEMBL2801054 0.87 CCR1 (0.45)
SCHEMBL2800838 0.87 CHRM4 (0.43) KDM4C
SCHEMBL2798414 0.87 STAT6 (0.43) KDM4C
SCHEMBL2801553 0.87 STAT6 (0.48) VNN1SCD
SCHEMBL2800791 0.86 ALDH1A1 (0.44) SCD5
SCHEMBL2802134 0.86 AVPR1A (0.42)

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 VNN1 1063/4885NAMPT 266/4885SCD 4594/4885

“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.