SCHEMBL810165

SCHEMBL810165

Nc1cccc(NC(=O)c2ccccc2Br)c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
F2R P25116 13/20 0.63
NPC1 O15118 2/20 0.63
RAB9A P51151 2/20 0.63
PTGS1 P23219 1/20 0.63
KMT2A Q03164 1/20 0.63
DDX3X O00571 1/20 0.57
RXFP1 Q9HBX9 1/20 0.56

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
Hydrochloric Acid SCHEMBL22362619 0.98 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2F2RNPC1RAB9A
SCHEMBL8402949 0.89 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2PTGS1KMT2ADDX3X
SCHEMBL11575251 0.85 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2F2RNPC1RAB9A
SCHEMBL9810110 0.84 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2NPC1RAB9APTGS1
SCHEMBL882776 0.82 NPC1 (0.75) ALDH1A1SMN1; SMN2F2RNPC1RAB9A
SCHEMBL3663484 0.82 KMT2A (0.61) ALDH1A1F2RNPC1RAB9AKMT2A
SCHEMBL882734 0.81 KMT2A (0.80) ALDH1A1SMN1; SMN2F2RNPC1RAB9A
SCHEMBL28493350 0.81 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2PTGS1KMT2ADDX3X
SCHEMBL811056 0.81 KCNK3 (0.68) ALDH1A1SMN1; SMN2F2RPTGS1KMT2A
SCHEMBL27645970 0.81 SMN1; SMN2 (0.68) ALDH1A1SMN1; SMN2F2RNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11130743-B2 Heterocyclic ligands of PAR1 and methods of use MARQUETTE UNIVERSITY (US) 2021-09-28 US disclosed
US-20200270224-A1 Heterocyclic Ligands of PAR1 and Methods of Use MARQUETTE UNIVERSITY 2020-08-27 US disclosed
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
US-20130331411-A1 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS BETH ISRAEL DEACONESS MEDICAL CENTER (US) 2013-12-12 US disclosed
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
WO-2012040636-A2 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS THE BROAD INSTITUTE, INC. (US) 2012-03-29 WO disclosed
WO-2012040636-A2 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS THE BROAD INSTITUTE, INC. (US) 2012-03-29 WO disclosed
EP-1979348-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-01-18 EP disclosed
US-7291632-B2 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-7291632-B2 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-HT1F agonists ELI LILLY AND COMPANY (US) 2007-11-06 US disclosed
US-20070232627-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-10-04 US disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 WO disclosed
WO-2007076034-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-05 WO disclosed
US-20060287363-A1 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-ht 1f agonists ELLI LILLY AND COMPANY (US) 2006-12-21 US disclosed
CN-1849307-A As 5-HT1FSubstituted 2-carbonylamino-6-agonistsPiperidinylaminopyridines and substituted 1-carbonylamino-3-piperidinylaminophenyls LILLY CO ELI (US) 2006-10-18 CN disclosed
EP-1663971-A1 SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS Eli Lilly and Company (US) 2006-06-07 EP disclosed
WO-2005035499-A1 SUBSTITUTED 2-CARBONYLAMINO-6-PIPERIDINAMINOPYRIDINES AND SUBSTITUTED 1-CARBONYLAMINO-3-PIPERIDINAMINOBENZENES AS 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2005-04-21 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 (6 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885SMN1; SMN2 3135/4885F2R 3269/4885
US-20130331411-A1 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS F2R, F2RL1, F2RL3 ALDH1A1 1289/4885SMN1; SMN2 1938/4885F2R 1/4885
US-20060287363-A1 Substituted 2-carbonylamino-6-piperidinaminopyridines and substituted 1-carbonylamino-3-piperidinaminobenzenes as 5-ht 1f agonists HTR1F, HTR1A, HTR3B ALDH1A1 1980/4885SMN1; SMN2 1901/4885F2R 58/4885
US-20070232627-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 ALDH1A1 2723/4885SMN1; SMN2 3135/4885F2R 3269/4885
US-20200270224-A1 Heterocyclic Ligands of PAR1 and Methods of Use F2R, F2RL1, PLAT ALDH1A1 3966/4885SMN1; SMN2 1833/4885F2R 1/4885
US-11130743-B2 Heterocyclic ligands of PAR1 and methods of use F2R, F2RL1, PLAT ALDH1A1 3966/4885SMN1; SMN2 1833/4885F2R 1/4885

“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.