SCHEMBL2800042

SCHEMBL2800042

Cc1cc(Nc2c(C(=O)N3CCC(c4ccccc4)CC3)cnc3c(C(=O)O)cnn23)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.43
ALDH1A1 P00352 3/20 0.41
IDO1 P14902 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
HTT P42858 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
F11 P03951 1/20 0.41
SPR P35270 3/20 0.40
EGLN1 Q9GZT9 1/20 0.40
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
DHODH Q02127 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
SCHEMBL2800893 0.94 MAPT (0.40) PDE4BALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL2802820 0.91 ALDH1A1 (0.42) PDE4BALDH1A1IDO1SMN1; SMN2NPC1
SCHEMBL2802165 0.89 ALDH1A1 (0.38) PDE4BALDH1A1IDO1SMN1; SMN2NPC1
SCHEMBL2801606 0.88 PDE4B (0.48) PDE4BALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL2799831 0.88 ALDH1A1 (0.47) PDE4BALDH1A1IDO1SMN1; SMN2NPC1
SCHEMBL2801238 0.87 DRD2 (0.46) PDE4BALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL2801655 0.86 ALDH1A1 (0.41) PDE4BALDH1A1IDO1SMN1; SMN2NPC1
SCHEMBL2801935 0.85 KDM4E (0.41) PDE4BALDH1A1SMN1; SMN2NPC1MAPT
SCHEMBL2801085 0.85 PDE4B (0.44) PDE4BALDH1A1NPC1MAPTRAB9A
SCHEMBL2800070 0.85 ALDH1A1 (0.47) PDE4BALDH1A1SMN1; SMN2NPC1RAB9A

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 PDE4B 1603/4885ALDH1A1 243/4885IDO1 2086/4885

“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.