SCHEMBL5338061

SCHEMBL5338061

Nc1cc(C(=O)N2CCCCC2)ccn1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 16/20 0.65
ALDH1A1 P00352 1/20 0.56
GABRP O00591 1/20 0.56
GABRD O14764 1/20 0.56
GABRA1 P14867 1/20 0.56
GABRB1 P18505 1/20 0.56
GABRG2 P18507 1/20 0.56
GABRB3 P28472 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRA3 P34903 1/20 0.56
GABRA2 P47869 1/20 0.56
GABRB2 P47870 1/20 0.56
GABRA4 P48169 1/20 0.56
GABRE P78334 1/20 0.56
GABRA6 Q16445 1/20 0.56
GABRG1 Q8N1C3 1/20 0.56
GABRG3 Q99928 1/20 0.56
GABRQ Q9UN88 1/20 0.56
KDM4E B2RXH2 1/20 0.54
HSD11B1 P28845 1/20 0.53

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
SCHEMBL14858253 0.98 HPGD (0.62) HPGDALDH1A1GABRPGABRDGABRA1
SCHEMBL13888987 0.86 L3MBTL3 (0.65) ALDH1A1KDM4E
SCHEMBL6179799 0.85 GABRP (0.59) HPGDALDH1A1GABRPGABRDGABRA1
SCHEMBL18175986 0.84 PKM (0.55) HPGDALDH1A1GABRPGABRDGABRA1
SCHEMBL28226884 0.84 MEN1 (0.55) HPGDALDH1A1GABRPGABRDGABRA1
SCHEMBL7498578 0.80 LMNA (0.49) HPGDGABRPGABRDGABRA1GABRB1
SCHEMBL19966525 0.80 CCNT1 (0.49) HPGDALDH1A1GABRPGABRDGABRA1
SCHEMBL1859158 0.80 PROKR1 (0.61) HPGDALDH1A1HSD11B1GRIA3GRIA4
SCHEMBL30667713 0.80 PROKR1 (0.61) HPGDALDH1A1HSD11B1GRIA3GRIA4
Cx516 SCHEMBL194605 0.79 HPGD (1.00) HPGDALDH1A1GRIA3GRIA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
EP-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP disclosed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US disclosed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US disclosed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US disclosed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO disclosed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US 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 (3 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-20020193405-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX HPGD 672/4885ALDH1A1 810/4885GABRP 4466/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX HPGD 672/4885ALDH1A1 810/4885GABRP 4466/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX HPGD 672/4885ALDH1A1 810/4885GABRP 4466/4885

“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.