SCHEMBL5202482

SCHEMBL5202482

CC(C(=O)NC1CCNCC1c1ccccc1)c1ccc(C(=O)c2cccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.51
PTGS2 P35354 4/20 0.51
CYP2C9 P11712 3/20 0.51
HPGD P15428 3/20 0.51
LMNA P02545 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
HPGDS O60760 1/20 0.40
KDM1A O60341 2/20 0.38
F2RL1 P55085 1/20 0.36
HTT P42858 2/20 0.36
ALOX15 P16050 1/20 0.36
ELANE P08246 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL5161368 0.84 GRM7 (0.48) KDM1A
SCHEMBL5158967 0.80 MAPT (0.48) PTGS1PTGS2CYP2C9HPGDLMNA
SCHEMBL5158320 0.78 KMT2A (0.51) HPGDLMNAALDH1A1
SCHEMBL6481046 0.76 SSTR4 (0.40) KDM1A
SCHEMBL5202490 0.75 HPGD (0.42) PTGS1PTGS2CYP2C9HPGDLMNA
SCHEMBL5161850 0.73 KDM1A (0.43) KDM1A
SCHEMBL5161860 0.73 MAPT (0.47) ALDH1A1KDM1A
SCHEMBL5156707 0.72 KDM1A (0.47) KDM1A
SCHEMBL5202478 0.72 HPGDS (0.41) PTGS1PTGS2CYP2C9HPGDLMNA
SCHEMBL6493783 0.72 GRM7 (0.42)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
US-20050277627-A1 Colchinol derivatives as vascular damaging agents ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2005-12-15 US disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US disclosed
EP-1301497-A1 COLCHINOL DERIVATIVES AS VASCULAR DAMAGING AGENTS Angiogene Pharmaceuticals Limited (GB) 2003-04-16 EP disclosed
WO-2002004434-A1 COLCHINOL DERIVATIVES AS VASCULAR DAMAGING AGENTS ANGIOGENE PHARMACEUTICALS LIMITED (GB) 2002-01-17 WO 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 (2 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 PTGS1 929/4885PTGS2 1321/4885CYP2C9 3981/4885
US-20050277627-A1 Colchinol derivatives as vascular damaging agents TOP1, TDP1, TOP2B PTGS1 565/4885PTGS2 2000/4885CYP2C9 610/4885

“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.