SCHEMBL2801100

SCHEMBL2801100

COc1cccc(CNc2c(C(=O)N3CCC(c4ccccc4)CC3)cnc3c(C(=O)O)cnn23)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4A P27815 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
HSD11B1 P28845 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKG1 Q13976 1/20 0.41
ORAI1 Q96D31 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
SCHEMBL2799022 0.92 ALDH1A1 (0.44) CHRM4ALDH1A1KDM4ELMNATSHR
SCHEMBL2799741 0.92 CHRM4 (0.40) CHRM4ALDH1A1KDM4ELMNATSHR
SCHEMBL2800936 0.89 STAT6 (0.42) CHRM4ALDH1A1L3MBTL1THRB
SCHEMBL2802134 0.88 AVPR1A (0.42) ALDH1A1KDM4ELMNATSHRMAPT
SCHEMBL2800791 0.88 ALDH1A1 (0.44) CHRM4ALDH1A1NPC1TP53KMT2A
SCHEMBL2801662 0.86 TP53 (0.42) RAB9ANPC1MAPTTP53KMT2A
SCHEMBL2798414 0.85 STAT6 (0.43) ALDH1A1KDM4ETSHRRAB9ANPC1
SCHEMBL2801219 0.84 VNN1 (0.48)
SCHEMBL2801054 0.83 CCR1 (0.45) CHRM4TP53SMN1; SMN2THRB
SCHEMBL2800838 0.83 CHRM4 (0.43) CHRM4ALDH1A1KDM4ETSHRRAB9A

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 CHRM4 4837/4885ALDH1A1 243/4885KDM4E 3180/4885

“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.