SCHEMBL529880

SCHEMBL529880

CCCCCNn1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.47
QPCT Q16769 2/20 0.37
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP19A1 P11511 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
CYP4Z1 Q86W10 4/20 0.34
POLB P06746 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
NAAA Q02083 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 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
SCHEMBL10770404 0.98 TBXAS1 (0.50) TBXAS1QPCTCYP3A4CYP2D6CYP1A2
SCHEMBL28881459 0.98 TBXAS1 (0.50) TBXAS1QPCTCYP3A4CYP2D6CYP1A2
Hydrochloric Acid SCHEMBL28469122 0.96 TBXAS1 (0.49) TBXAS1QPCTCYP3A4CYP2D6CYP1A2
SCHEMBL28165347 0.94 TBXAS1 (0.44) TBXAS1QPCTCYP3A4CYP2D6CYP1A2
SCHEMBL5393991 0.86
Hydrochloric Acid SCHEMBL9020707 0.84 QPCT (0.39) TBXAS1QPCTCYP3A4CYP2D6CYP1A2
SCHEMBL11883639 0.79 ALDH1A1 (0.40) CYP2C19ALDH1A1TSHRCYP4Z1POLB
SCHEMBL28030942 0.78 CA12 (0.33) TBXAS1CYP3A4CYP2D6CYP1A2CYP2C9
SCHEMBL2786027 0.77
Hydrochloric Acid SCHEMBL27744922 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3078738-B1 WNT PATHWAY STIMULATION IN REPROGRAMMING SOMATIC CELLS WHITEHEAD INST BIOMEDICAL RES (US) 2020-05-20 EP claimed
EP-2599776-B1 THERAPEUTIC AGENT FOR NEUROLOGICAL DISEASES NEUGEN PHARMA INC (JP) 2014-10-15 EP claimed
US-20130190363-A1 THERAPEUTIC AGENT FOR NEUROLOGICAL DISEASES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2013-07-25 US claimed
EP-2599776-A1 THERAPEUTIC AGENT FOR NEUROLOGICAL DISEASES Neugen Pharma Inc. (JP) 2013-06-05 EP claimed
EP-3078738-B1 WNT PATHWAY STIMULATION IN REPROGRAMMING SOMATIC CELLS WHITEHEAD INST BIOMEDICAL RES (US) 2020-05-20 EP disclosed
EP-3601232-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED 2-AMINOIMIDAZOLES Curza Global LLC (US) 2020-02-05 EP disclosed
WO-2018184019-A1 COMPOSITIONS AND METHODS COMPRISING SUBSTITUTED 2-AMINOIMIDAZOLES CURZA GLOBAL, LLC (US) 2018-10-04 WO disclosed
EP-3119394-A2 COMPOSITIONS AND METHODS COMPRISING 2-(ACYLAMINO)IMIDAZOLES Curza Global LLC (US) 2017-01-25 EP disclosed
CN-105541828-A Amide imidazole derivative and application thereof UNIV SHENYANG PHARMACEUTICAL 2016-05-04 CN disclosed
CN-105541828-A Amide imidazole derivative and application thereof UNIV SHENYANG PHARMACEUTICAL 2016-05-04 CN disclosed
WO-2015143240-A2 COMPOSITIONS AND METHODS COMPRISING 2-(ACYLAMINO)IMIDAZOLES CURZA GLOBAL, LLC (US) 2015-09-24 WO disclosed
US-8975411-B2 Therapeutic agent for neurological diseases NEUGEN PHARMA INC. (JP) 2015-03-10 US disclosed
US-20040020568-A1 Non-toxic corrosion-protection conversion coats based on rare earth elements DAYTON, UNIVERSITY OF 2004-02-05 US disclosed
US-20040016910-A1 Non-toxic corrosion-protection rinses and seals based on rare earth elements DAYTON, UNIVERSITY OF 2004-01-29 US disclosed
US-20040011252-A1 Non-toxic corrosion-protection pigments based on manganese UNIVERSITY OF DAYTON 2004-01-22 US disclosed
US-20030234063-A1 Non-toxic corrosion-protection conversion coats based on cobalt DAYTON, UNIVERSITY OF 2003-12-25 US disclosed
US-20030230363-A1 Non-toxic corrosion-protection rinses and seals based on cobalt UNIVERSITY OF DAYTON 2003-12-18 US disclosed
WO-2003060192-A1 NON-TOXIC CORROSION-PROTECTION RINSES AND SEALS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060191-A2 NON-TOXIC CORROSION-PROTECTION CONVERSION COATINGES ABSED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 WO disclosed
WO-2003060019-A1 NON-TOXIC CORROSION PROTECTION PIGMENTS BASED ON COBALT UNIVERSITY OF DAYTON (US) 2003-07-24 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 (1 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-20130190363-A1 THERAPEUTIC AGENT FOR NEUROLOGICAL DISEASES AIFM1, AIFM2, GPX4 TBXAS1 1600/4885QPCT 1917/4885CYP3A4 4358/4885

“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.