SCHEMBL5338216

SCHEMBL5338216

Nc1cccc(OCC2CCOC2)n1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.63
XDH P47989 2/20 0.45
DHFR P00374 1/20 0.44
DCPS Q96C86 1/20 0.44
FFAR2 O15552 1/20 0.42
CYP2D6 P10635 1/20 0.41
TLR7 Q9NYK1 1/20 0.40
GRM4 Q14833 6/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
GRM5 P41594 1/20 0.38
IRAK4 Q9NWZ3 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
SCHEMBL29015227 0.88 MCHR1 (0.48) MCHR1XDHDHFRDCPSCYP2D6
SCHEMBL2728360 0.83 MCHR1 (0.50) MCHR1DHFRDCPS
SCHEMBL3415459 0.80 MCHR1 (0.50) MCHR1XDHDHFRDCPSTLR7
SCHEMBL5883858 0.78 MCHR1 (1.00) MCHR1DHFRDCPS
SCHEMBL5343908 0.75 MCHR1 (0.41) MCHR1DHFRDCPSFFAR2CYP2D6
SCHEMBL2143997 0.75 MCHR1 (0.50) MCHR1DHFRDCPS
SCHEMBL5343605 0.74 ALOX5AP (0.45) FFAR2CYP2D6
SCHEMBL24265468 0.74 CYP2D6 (0.53) MCHR1DHFRDCPSCYP2D6TLR7
SCHEMBL3100924 0.74 CYP2D6 (0.47) MCHR1DHFRDCPSCYP2D6GRM4
SCHEMBL31118706 0.71 DHFR (0.41) MCHR1DHFRDCPSFFAR2GRM4

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 MCHR1 4295/4885XDH 32/4885DHFR 569/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX MCHR1 4295/4885XDH 32/4885DHFR 569/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX MCHR1 4295/4885XDH 32/4885DHFR 569/4885

“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.