SCHEMBL2800786

SCHEMBL2800786

CC1CN(C(=O)c2cnc3c(C(=O)NS(C)(=O)=O)cnn3c2NCc2ccccc2)CCC1c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.36
THRB P10828 2/20 0.34
MGLL Q99685 2/20 0.34
PDE4B Q07343 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
SCN3A Q9NY46 2/20 0.33
SCN9A Q15858 1/20 0.33
KDM1A O60341 1/20 0.33
SCN7A Q01118 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ENPP2 Q13822 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
VNN1 O95497 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
GRIN2B Q13224 1/20 0.32

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
SCHEMBL2802356 0.91 SRC (0.38) THRBMGLLPDE4BLMNAENPP2
SCHEMBL2799687 0.88 STAT6 (0.40) THRBMGLLALDH1A1KDM4EHPGD
SCHEMBL2801694 0.86 CCNA2 (0.44) PDE4BALDH1A1KDM4EHPGDLMNA
SCHEMBL2798553 0.84 THRB (0.37) THRBPDE4BALDH1A1KDM4EHPGD
SCHEMBL2802391 0.84 SMN1; SMN2 (0.41) THRBALDH1A1KDM4EHPGDLMNA
SCHEMBL2801027 0.84 RBP4 (0.40) THRBPDE4BALDH1A1KDM4EHPGD
SCHEMBL2803544 0.83 TPSAB1 (0.40) USP5THRBALDH1A1KDM4EHPGD
SCHEMBL2802693 0.83 TP53 (0.41) ALDH1A1LMNASCN7ASMN1; SMN2ENPP2
SCHEMBL2800864 0.83 CCR1 (0.42) THRBSMN1; SMN2ENPP2
SCHEMBL2802186 0.82 VNN1 (0.43) MGLLALDH1A1KDM4EHPGDVNN1

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 USP5 2753/4885THRB 4546/4885MGLL 4369/4885

“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.