SCHEMBL2798484

SCHEMBL2798484

Cn1ccc2c(Nc3c(C(=O)N4CCC(c5ccccc5)CC4)cnc4c(C(=O)O)cnn34)cccc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.47
SYK P43405 8/20 0.43
TPSAB1 Q15661 2/20 0.42
ADORA1 P30542 1/20 0.40
SPR P35270 1/20 0.39
HSD11B1 P28845 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL2802259 0.91 MGLL (0.42) MGLLSYKTPSAB1ADORA1SPR
SCHEMBL2801629 0.90 MGLL (0.42) MGLLSYKTPSAB1ADORA1SPR
SCHEMBL2801085 0.84 PDE4B (0.44) SPRALDH1A1
SCHEMBL2801711 0.84 DHODH (0.46) MGLLSYKSPRALDH1A1
SCHEMBL2802215 0.83 ALDH1A1 (0.42) SYKSPRALDH1A1
SCHEMBL2801684 0.83 LMNA (0.45) MGLLSPRALDH1A1
SCHEMBL2800955 0.83 SPR (0.41) MGLLSPRALDH1A1
SCHEMBL2801767 0.82 SPR (0.47) MGLLSYKTPSAB1SPRALDH1A1
SCHEMBL2801102 0.82 SIRT5 (0.50) MGLLSPRALDH1A1
SCHEMBL2800506 0.82 KMT2A (0.41) MGLLSPRALDH1A1

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 MGLL 4369/4885SYK 958/4885TPSAB1 563/4885

“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.