SCHEMBL2801121

SCHEMBL2801121

Cn1nccc1Nc1c(C(=O)N2CCC(c3ccccc3)CC2)cnc2c(C(=O)O)cnn12

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMO Q99835 6/20 0.45
SPR P35270 3/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SCD5 Q86SK9 5/20 0.39
MGLL Q99685 2/20 0.39
SCD O00767 2/20 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
SCHEMBL2798561 0.91 SMO (0.44) SMOSPRALDH1A1L3MBTL1SCD5
SCHEMBL2800581 0.89 SMO (0.40) SMOSPRALDH1A1L3MBTL1SCD5
SCHEMBL2801085 0.84 PDE4B (0.44) SPRALDH1A1L3MBTL1SCD5
SCHEMBL2800844 0.84 SPR (0.42) SPRALDH1A1L3MBTL1SCD5SCD
SCHEMBL2801606 0.83 PDE4B (0.48) SPRALDH1A1L3MBTL1
SCHEMBL2800955 0.83 SPR (0.41) SPRALDH1A1L3MBTL1SCD5MGLL
SCHEMBL2801102 0.82 SIRT5 (0.50) SPRALDH1A1L3MBTL1MGLL
SCHEMBL2798467 0.82 ALDH1A1 (0.51) ALDH1A1L3MBTL1
SCHEMBL2798969 0.81 SCD5 (0.44) SPRALDH1A1L3MBTL1SCD5SCD
SCHEMBL2799831 0.81 ALDH1A1 (0.47) SPRALDH1A1L3MBTL1

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 SMO 1649/4885SPR 2955/4885ALDH1A1 243/4885

“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.