SCHEMBL5338175

SCHEMBL5338175

CC(C)NCc1cccc(Br)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TRPV3 Q8NET8 9/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
PARP1 P09874 1/20 0.35
CXCR4 P61073 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
MBOAT4 Q96T53 1/20 0.34
HRH1 P35367 1/20 0.33
FAAH O00519 1/20 0.33

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
SCHEMBL12616291 0.86 KDM1A (0.42) KDM1AMAOAMAOBTRPV3SIRT2
SCHEMBL5343292 0.83 TRPV3 (0.46) KDM1AMAOAMAOBTRPV3SIRT2
SCHEMBL30232895 0.82 KDM1A (0.42) KDM1AMAOAMAOBTRPV3SIRT2
SCHEMBL3730227 0.82 CASR (0.50) KDM1AMAOAMAOBTRPV3SIRT2
SCHEMBL3730225 0.82 CASR (0.50) KDM1AMAOAMAOBTRPV3SIRT2
SCHEMBL23015676 0.81 TRPV3 (0.40) TRPV3NPSR1CXCR4BCHEACHE
SCHEMBL5343914 0.80 TRPV3 (0.64) TRPV3
SCHEMBL12538333 0.80 TRPV3 (0.64) TRPV3
SCHEMBL3512286 0.80 SIRT2 (0.40) KDM1AMAOAMAOBTRPV3SIRT2
SCHEMBL12259282 0.79 SMN1; SMN2 (0.49) KDM1AMAOAMAOBTRPV3NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729271-B2 Glycine transporter inhibiting substances TAISHO PHARMACEUTICAL CO., LTD (JP) 2014-05-20 US disclosed
EP-2617715-A1 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD (JP) 2013-07-24 EP disclosed
US-20130184460-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-07-18 US disclosed
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 (4 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 KDM1A 2930/4885MAOA 3942/4885MAOB 3362/4885
US-20130184460-A1 GLYCINE TRANSPORTER INHIBITING SUBSTANCES SLC1A2, SLC18A2, SLC6A1 KDM1A 4495/4885MAOA 393/4885MAOB 240/4885
US-20040039029-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX KDM1A 2930/4885MAOA 3942/4885MAOB 3362/4885
US-20040044044-A1 Thiazolyl urea compounds and methods of uses SLC14A1, UMPS, BAX KDM1A 2930/4885MAOA 3942/4885MAOB 3362/4885

“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.