SCHEMBL2800936

SCHEMBL2800936

O=C(O)c1cnn2c(NCc3ccccc3)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.42
ENPP2 Q13822 1/20 0.42
SPR P35270 3/20 0.42
THRB P10828 1/20 0.41
KDM4C Q9H3R0 1/20 0.40
ALDH1A1 P00352 3/20 0.40
SIRT5 Q9NXA8 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
SRC P12931 1/20 0.39
TP53BP1 Q12888 1/20 0.39
L3MBTL3 Q96JM7 1/20 0.39
POLB P06746 1/20 0.39
CHRM4 P08173 1/20 0.39
MGLL Q99685 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
SLC6A7 Q99884 1/20 0.38
GRIN2B Q13224 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
SCHEMBL2800838 0.94 CHRM4 (0.43) STAT6ENPP2KDM4CALDH1A1CHRM4
SCHEMBL2801054 0.94 CCR1 (0.45) STAT6ENPP2THRBCHRM4
SCHEMBL2798414 0.94 STAT6 (0.43) STAT6ENPP2SPRTHRBKDM4C
SCHEMBL2800576 0.94 THRB (0.39) STAT6ENPP2SPRTHRBKDM4C
SCHEMBL2801553 0.94 STAT6 (0.48) STAT6ENPP2SPRTHRBALDH1A1
SCHEMBL2801219 0.93 VNN1 (0.48) KDM4CMGLL
SCHEMBL2801678 0.92 ALDH1A1 (0.44) STAT6ENPP2SPRTHRBALDH1A1
SCHEMBL2802134 0.91 AVPR1A (0.42) SPRTHRBALDH1A1SIRT5
SCHEMBL2800791 0.91 ALDH1A1 (0.44) ALDH1A1CHRM4
SCHEMBL2801662 0.91 TP53 (0.42) STAT6ENPP2SPRTHRB

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 STAT6 146/4885ENPP2 1017/4885SPR 2955/4885

“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.