SCHEMBL5345661

SCHEMBL5345661

[O]c1ccc(CN2CCCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.74
HRH4 Q9H3N8 1/20 0.65
ALDH1A1 P00352 4/20 0.63
KDM4E B2RXH2 2/20 0.63
MBTD1 Q05BQ5 1/20 0.61
L3MBTL3 Q96JM7 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
NCF1 P14598 1/20 0.57
CXCR4 P61073 2/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55

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
SCHEMBL11201497 0.88 HRH3 (0.94) HRH3HRH4ALDH1A1KDM4EMBTD1
Hydrochloric Acid SCHEMBL11196296 0.85 HRH3 (0.90) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL4277270 0.85 HRH3 (1.00) HRH3HRH4ALDH1A1KDM4EMBTD1
Hydrochloric Acid SCHEMBL7468055 0.83 HRH3 (0.95) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL22711410 0.82 HRH3 (0.74) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL6057527 0.81 HRH3 (0.81) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL3451622 0.81 LMNA (0.67) HRH3ALDH1A1KDM4ENCF1HDAC6
SCHEMBL22711469 0.80 HRH3 (0.78) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL6057453 0.79 HRH3 (0.77) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL7937990 0.79 ALDH1A1 (0.95) HRH3HRH4ALDH1A1KDM4EMBTD1

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 14 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 claimed
EP-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP claimed
US-20040044044-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-03-04 US claimed
US-20040039029-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2004-02-26 US claimed
US-6645990-B2 For prophylaxis and therapy of diseases, such as cell proliferation or apoptosis mediated diseases AMGEN INC. 2003-11-11 US claimed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO claimed
US-20020193405-A1 Thiazolyl urea compounds and methods of uses AMGEN INC. 2002-12-19 US claimed
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 HRH3 3754/4885HRH4 2873/4885ALDH1A1 810/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX HRH3 3754/4885HRH4 2873/4885ALDH1A1 810/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX HRH3 3754/4885HRH4 2873/4885ALDH1A1 810/4885

“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.