SCHEMBL2798930

SCHEMBL2798930

CC1=Cc2ccccc2C12CCN(C(=O)c1cnc3c(C(=O)O)cnn3c1Nc1cc(C)ccc1C)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.40
PDE4B Q07343 2/20 0.38
KDM4E B2RXH2 6/20 0.37
KDR P35968 2/20 0.35
ALDH1A1 P00352 7/20 0.34
HTT P42858 3/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TLR4 O00206 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 4/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL2800805 0.91 KDM4E (0.40) TP53KDM4EKDRALDH1A1GAA
SCHEMBL2801104 0.89 TP53 (0.35) TP53PDE4BKDM4EKDRALDH1A1
SCHEMBL2800800 0.88 PDE4B (0.48) TP53PDE4BKDM4EKDRALDH1A1
SCHEMBL2800377 0.84 PDE4B (0.43) PDE4BKDM4EKDRALDH1A1GAA
SCHEMBL2800858 0.83 TP53 (0.42) TP53PDE4BKDM4EALDH1A1TLR4
SCHEMBL2800426 0.83 AVPR1A (0.41) TP53PDE4BKDM4EKDRALDH1A1
SCHEMBL2800849 0.83 SRC (0.35) TP53PDE4BKDM4EALDH1A1HTT
SCHEMBL2799436 0.81 TP53 (0.44) TP53PDE4BALDH1A1SMN1; SMN2RAB9A
SCHEMBL2802276 0.80 PDE4B (0.44) TP53PDE4BKDM4EKDRALDH1A1
SCHEMBL2799462 0.80 PDE4B (0.44) TP53PDE4BKDM4EKDRALDH1A1

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 TP53 241/4885PDE4B 1603/4885KDM4E 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.