SCHEMBL1889350

SCHEMBL1889350

CCCCc1nc(-c2ccc(OC[C@@H](O)CN(C)C)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGER Q15109 12/20 0.72
CDK4 P11802 3/20 0.44
CDK2 P24941 2/20 0.44
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
SLC6A4 P31645 7/20 0.40

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
SCHEMBL1576905 1.00 AGER (0.72) AGERCDK4CDK2ALDH1A1HPGD
SCHEMBL1576892 1.00 AGER (0.72) AGERCDK4CDK2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL1889347 0.99 AGER (0.71) AGERCDK4CDK2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL1893690 0.99 AGER (0.71) AGERCDK4CDK2ALDH1A1HPGD
Hydrochloric Acid SCHEMBL1889343 0.99 AGER (0.71) AGERCDK4CDK2ALDH1A1HPGD
SCHEMBL1890014 0.93 AGER (0.75) AGERSLC6A4
SCHEMBL1577018 0.93 AGER (0.75) AGERSLC6A4
SCHEMBL1577020 0.93 AGER (0.75) AGERSLC6A4
Hydrochloric Acid SCHEMBL1889808 0.92 AGER (0.73) AGERSLC6A4
Hydrochloric Acid SCHEMBL1888277 0.92 AGER (0.73) AGERSLC6A4

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170157093-A1 Substituted Imidazole Derivatives and Methods of Use Thereof VTV THERAPEUTICS LLC 2017-06-08 US claimed
US-9598375-B2 Substituted imidazole derivatives and methods of use thereof VTV THERAPEUTICS LLC (US) 2017-03-21 US claimed
EP-2470510-B1 SUBSTITUTED IMIDAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMERS DISEASE. TRANSTECH PHARMA LLC (US) 2014-05-14 EP claimed
US-20140039025-A1 Substituted Imidazole Derivatives and Methods of Use Thereof TRANSTECH PHARMA, INC. (US) 2014-02-06 US claimed
US-8580833-B2 Substituted imidazole derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-11-12 US claimed
US-20110105578-A1 Substituted Imidazole Derivatives And Methods Of Use Thereof VTV THERAPEUTICS LLC 2011-05-05 US claimed
US-10363241-B2 Substituted imidazole derivatives and methods of use thereof VTV THERAPEUTICS LLC (US) 2019-07-30 US disclosed
US-10363241-B2 Substituted imidazole derivatives and methods of use thereof VTV THERAPEUTICS LLC (US) 2019-07-30 US disclosed
US-20190076402-A1 Substituted Imidazole Derivatives and Methods of Use Thereof TRANSTECH PHARMA, INC. 2019-03-14 US disclosed
US-20190076402-A1 Substituted Imidazole Derivatives and Methods of Use Thereof TRANSTECH PHARMA, INC. 2019-03-14 US disclosed
US-20170157093-A1 Substituted Imidazole Derivatives and Methods of Use Thereof VTV THERAPEUTICS LLC 2017-06-08 US disclosed
US-20170157093-A1 Substituted Imidazole Derivatives and Methods of Use Thereof VTV THERAPEUTICS LLC 2017-06-08 US disclosed
US-20170157093-A1 Substituted Imidazole Derivatives and Methods of Use Thereof VTV THERAPEUTICS LLC 2017-06-08 US disclosed
US-8580833-B2 Substituted imidazole derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-11-12 US disclosed
US-8580833-B2 Substituted imidazole derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-11-12 US disclosed
US-8580833-B2 Substituted imidazole derivatives and methods of use thereof TRANSTECH PHARMA, INC. (US) 2013-11-12 US disclosed
US-20110105578-A1 Substituted Imidazole Derivatives And Methods Of Use Thereof VTV THERAPEUTICS LLC 2011-05-05 US disclosed
US-20110105578-A1 Substituted Imidazole Derivatives And Methods Of Use Thereof VTV THERAPEUTICS LLC 2011-05-05 US disclosed
US-20110105578-A1 Substituted Imidazole Derivatives And Methods Of Use Thereof VTV THERAPEUTICS LLC 2011-05-05 US disclosed
WO-2011041198-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES FOR TREATMENT OF ALZHEIMERS DISEASE TRANSTECH PHARMA, INC. (US) 2011-04-07 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 (5 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-20170157093-A1 Substituted Imidazole Derivatives and Methods of Use Thereof CYP11B2, CYP2C19, SLC10A2 AGER 1632/4885CDK4 2619/4885CDK2 2378/4885
US-20140039025-A1 Substituted Imidazole Derivatives and Methods of Use Thereof MAPT, PSEN2, PSEN1 AGER 371/4885CDK4 2745/4885CDK2 2459/4885
US-20190076402-A1 Substituted Imidazole Derivatives and Methods of Use Thereof CYP3A7, CYP3A5, CYP3A43 AGER 3594/4885CDK4 1658/4885CDK2 1035/4885
US-10363241-B2 Substituted imidazole derivatives and methods of use thereof CYP3A7, CYP3A5, CYP3A43 AGER 3594/4885CDK4 1658/4885CDK2 1035/4885
US-20110105578-A1 Substituted Imidazole Derivatives And Methods Of Use Thereof AGER, NOD2, PSEN1 AGER 1/4885CDK4 3078/4885CDK2 2782/4885

“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.