SCHEMBL2801745

SCHEMBL2801745

O=C(O)c1cnn2c(NCCc3ccccc3)c(C(=O)N3CCC(c4ccccc4)CC3)cnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 3/20 0.41
ALDH1A1 P00352 4/20 0.40
SIRT5 Q9NXA8 1/20 0.40
CHRM4 P08173 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MCL1 Q07820 1/20 0.40
BCL2A1 Q16548 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ASPH Q12797 2/20 0.39
KDM8 Q8N371 2/20 0.39
RIOX2 Q8IUF8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
CCR1 P32246 1/20 0.38
KDM6B O15054 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
SCD5 Q86SK9 1/20 0.37

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 0.91 STAT6 (0.42) SPRALDH1A1SIRT5CHRM4L3MBTL1
SCHEMBL2800801 0.90 ADORA1 (0.45) SPRALDH1A1LMNATSHRHSD17B10
SCHEMBL2800629 0.90 ALDH1A1 (0.40) SPRALDH1A1SIRT5CHRM4LMNA
SCHEMBL2801219 0.86 VNN1 (0.48) KDM4CSCD5
SCHEMBL2801054 0.85 CCR1 (0.45) CHRM4CCR1
SCHEMBL2800838 0.85 CHRM4 (0.43) ALDH1A1CHRM4TSHRKDM4EKDM4C
SCHEMBL2798414 0.85 STAT6 (0.43) SPRALDH1A1TSHRKDM4EPOLB
SCHEMBL2800576 0.84 THRB (0.39) SPRLMNAL3MBTL1KDM4C
SCHEMBL2798640 0.84 ADORA3 (0.43) SPRALDH1A1SIRT5KDM4EASPH
SCHEMBL2801553 0.84 STAT6 (0.48) SPRALDH1A1SIRT5L3MBTL1

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 SPR 2955/4885ALDH1A1 243/4885SIRT5 2237/4885

“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.