SCHEMBL8877908

SCHEMBL8877908

O=C(O)c1ccc(Cl)cc1-n1cccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 1/20 0.53
CASP1 P29466 1/20 0.53
SERPINE1 P05121 2/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TP53 P04637 1/20 0.48
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
NR4A1 P22736 1/20 0.46
NOTUM Q6P988 2/20 0.45
GRIK1 P39086 5/20 0.43
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL8877039 0.86 MYC (0.58) MYCSMN1; SMN2TSHRCASP1SERPINE1
SCHEMBL7815535 0.80 MYC (0.57) MYCSERPINE1ALDH1A1HPGDMAPK1
SCHEMBL28946278 0.79 ALDH1A1 (0.49) TSHRALDH1A1HPGDMAPK1KDM4E
SCHEMBL7820971 0.77 DNMT3A (0.55) MYCSMN1; SMN2TSHRCASP1ALDH1A1
SCHEMBL8877051 0.75 ALDH1A1 (0.45) MYCSERPINE1ALDH1A1TP53CA1
SCHEMBL29671348 0.75 ALDH1A1 (0.61) MYCSMN1; SMN2ALDH1A1HPGDMAPK1
SCHEMBL228778 0.75 ALDH1A1 (0.61) MYCSMN1; SMN2ALDH1A1HPGDMAPK1
SCHEMBL28946277 0.75 ALDH1A1 (0.58) ALDH1A1HPGDMAPK1KDM4EPOLB
SCHEMBL1586769 0.74 MYC (0.57) MYCSMN1; SMN2TSHRCASP1ALDH1A1
SCHEMBL14680352 0.74 MYC (1.00) MYCSMN1; SMN2TSHRCASP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787432-B2 N-[(pyridyloxy)propanyl]benzamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-09-29 US disclosed
US-10787432-B2 N-[(pyridyloxy)propanyl]benzamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-09-29 US disclosed
EP-3442958-B1 NOVEL N-[(PYRIDYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGELHEIM INT (DE) 2020-05-06 EP disclosed
EP-3442958-B1 NOVEL N-[(PYRIDYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGELHEIM INT (DE) 2020-05-06 EP disclosed
US-20190112291-A1 NOVEL N-[(PYRIDYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2019-04-18 US disclosed
US-20190112291-A1 NOVEL N-[(PYRIDYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGLEHEIM INTERNATIONAL GMBH (DE) 2019-04-18 US disclosed
WO-2017178340-A1 NOVEL N-[(PYRIDYLOXY)PROPANYL]BENZAMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-10-19 WO disclosed
US-5627203-A INHIBITORS OF SEROTONIN REUPTAKE, HIGH AFFINITY FOR 5HT RECEPTORS, ANXIOLYTIC, ANTIDEPRESSANT ADIR ET COMPAGNIE (FR) 1997-05-06 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 (2 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-10787432-B2 N-[(pyridyloxy)propanyl]benzamides HCRTR1, HCRTR2, CNR1 MYC 3984/4885SMN1; SMN2 1231/4885TSHR 195/4885
US-20190112291-A1 NOVEL N-[(PYRIDYLOXY)PROPANYL]BENZAMIDES HCRTR1, HCRTR2, CNR1 MYC 3881/4885SMN1; SMN2 1344/4885TSHR 221/4885

“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.