SCHEMBL2492632

SCHEMBL2492632

Clc1ncc(Br)cc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.49
CCR5 P51681 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOB P27338 1/20 0.46
LRRK2 Q5S007 3/20 0.45
MAPK14 Q16539 2/20 0.45
LTA4H P09960 1/20 0.45
SLC6A4 P31645 1/20 0.45
PLAU P00749 1/20 0.45
ABCB1 P08183 1/20 0.44
USP28 Q96RU2 1/20 0.44
USP25 Q9UHP3 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL30523230 1.00 GCK (0.49) GCKCCR5ALDH1A1HTTSMN1; SMN2
SCHEMBL19461605 0.87 GCK (0.40) GCKCCR5ALDH1A1HTTSMN1; SMN2
SCHEMBL1577749 0.83 GCK (0.51) GCKCCR5ALDH1A1HTTSMN1; SMN2
SCHEMBL26223542 0.82 GCK (0.50) GCKCCR5SMN1; SMN2MAOBLRRK2
SCHEMBL30388779 0.82 NPC1 (0.49) CCR5ALDH1A1SMN1; SMN2MAOBLRRK2
SCHEMBL28988132 0.82 NPC1 (0.49) CCR5ALDH1A1SMN1; SMN2MAOBLRRK2
SCHEMBL2436153 0.81 GCK (0.49) GCKHTTSMN1; SMN2MAOBLRRK2
SCHEMBL22332620 0.81 GCK (0.51) GCKHTTSMN1; SMN2LRRK2MAPK14
SCHEMBL31456652 0.81 GCK (0.49) GCKCCR5ALDH1A1HTTSMN1; SMN2
SCHEMBL16926498 0.81 GCK (0.55) GCKCCR5ALDH1A1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11753376-B2 Benzyloxy pyridine derivatives and uses thereof AUTOTAC INC. (KR) 2023-09-12 US disclosed
US-11753376-B2 Benzyloxy pyridine derivatives and uses thereof AUTOTAC INC. (KR) 2023-09-12 US disclosed
CN-111148735-B Nitrogen-containing heteroaryl compounds and pharmaceutical uses thereof 日本烟草产业株式会社 2023-08-08 CN disclosed
EP-3693358-B1 NITROGEN-CONTAINING HETEROARYL COMPOUND, AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2023-02-22 EP disclosed
US-10752596-B2 Nitrogen-containing heteroaryl compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2020-08-25 US disclosed
US-10752596-B2 Nitrogen-containing heteroaryl compound and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2020-08-25 US disclosed
EP-3693358-A1 NITROGEN-CONTAINING HETEROARYL COMPOUND, AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 2020-08-12 EP disclosed
CN-111148735-A Nitrogen-containing heteroaryl compounds and pharmaceutical uses thereof 日本烟草产业株式会社 2020-05-12 CN disclosed
US-20190152926-A1 NITROGEN-CONTAINING HETEROARYL COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2019-05-23 US disclosed
US-20190152926-A1 NITROGEN-CONTAINING HETEROARYL COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2019-05-23 US disclosed
US-20130005744-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME LLC 2013-01-03 US disclosed
US-20130005744-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME LLC 2013-01-03 US disclosed
US-20130005744-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME LLC 2013-01-03 US disclosed
WO-2011109261-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2011-09-09 WO disclosed
WO-2011109261-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2011-09-09 WO disclosed
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 GCK 605/4885CCR5 4201/4885ALDH1A1 3292/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 GCK 605/4885CCR5 4201/4885ALDH1A1 3292/4885
US-11753376-B2 Benzyloxy pyridine derivatives and uses thereof SQSTM1, ATG7, BECN1 GCK 1821/4885CCR5 4509/4885ALDH1A1 3915/4885
US-10752596-B2 Nitrogen-containing heteroaryl compound and pharmaceutical use thereof SLC2A9, SLC6A19, SLC5A2 GCK 98/4885CCR5 2481/4885ALDH1A1 923/4885
US-20130005744-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS COMT, PNMT, TPMT GCK 2239/4885CCR5 4481/4885ALDH1A1 186/4885
US-20190152926-A1 NITROGEN-CONTAINING HETEROARYL COMPOUND AND PHARMACEUTICAL USE THEREOF SLC2A9, SLC6A19, SLC5A2 GCK 98/4885CCR5 2481/4885ALDH1A1 923/4885

“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.