SCHEMBL4397369

SCHEMBL4397369

C=CC[CH]NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.54
ADH1C P00326 1/20 0.54
ADH1A P07327 1/20 0.54
ADH7 P40394 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.46
IDO1 P14902 2/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 1/20 0.43
MEN1 O00255 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL248336 0.79 ADH1B (0.60) ADH1BADH1CADH1AADH7SMN1; SMN2
Hydrochloric Acid SCHEMBL1228267 0.77 ADH1B (0.58) ADH1BADH1CADH1AADH7SMN1; SMN2
Bromide SCHEMBL27585090 0.77 ADH1B (0.58) ADH1BADH1CADH1AADH7SMN1; SMN2
SCHEMBL2855167 0.77 ADH1B (0.58) ADH1BADH1CADH1AADH7SMN1; SMN2
SCHEMBL8032761 0.77 ADH1B (0.52) ADH1BADH1CADH1AADH7SMN1; SMN2
SCHEMBL10772295 0.76 ADH1B (0.56) ADH1BADH1CADH1AADH7SMN1; SMN2
Hydrochloric Acid SCHEMBL28317318 0.76 ADH1B (0.56) ADH1BADH1CADH1AADH7SMN1; SMN2
SCHEMBL1527046 0.76 ADH1B (0.56) ADH1BADH1CADH1AADH7SMN1; SMN2
SCHEMBL4190257 0.76 ADH1B (0.56) ADH1BADH1CADH1AADH7SMN1; SMN2
Chloromethane SCHEMBL1227512 0.74 ADH1B (0.54) ADH1BADH1CADH1AADH7SMN1; 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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962919-B2 Nitrogen-containing heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL CO., LTD. (JP) 2005-11-08 US claimed
EP-1042325-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2005-09-21 EP claimed
US-20020103210-A1 Nitrogen-containing heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2002-08-01 US claimed
US-6413972-B1 5,8-DIHYDRO-3-METHYL-5-OXO-8-(1-OXO-1-PHENYL-2-PROPYL)-2 -PHENYLIMIDAZO(1,2-A)PYRIMIDINE-6-CARBOXYLIC ACID ETHYL ESTER; GONADOTROPIN-RELEASING HORMONE ANTAGONIZING ACTIVITY; LOW TOXICITY; ANTICARCINOGENIC AGENT; CONTRACEPTIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US claimed
EP-1042325-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-10-11 EP claimed
WO-1999033831-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-08 WO claimed
US-20090048273-A1 PREMATURE OVULATION PREVENTIVE AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1917978-A1 PREMATURE OVULATION PREVENTIVE AGENT Takeda Pharmaceutical Company Limited (JP) 2008-05-07 EP disclosed
US-20050250793-A1 Preventives/remedies for hot flash TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 US disclosed
US-6962919-B2 Nitrogen-containing heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL CO., LTD. (JP) 2005-11-08 US disclosed
EP-1042325-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2005-09-21 EP disclosed
EP-1495768-A1 PREVENTIVES/REMEDIES FOR HOTFLASH Takeda Pharmaceutical Company Limited (JP) 2005-01-12 EP disclosed
US-20040116522-A1 Medicinal solutions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US disclosed
EP-1374855-A1 MEDICINAL SOLUTIONS Takeda Chemical Industries, Ltd. (JP) 2004-01-02 EP disclosed
US-20030134863-A1 Preventives/remedies for alzheimer's disease TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-07-17 US disclosed
US-20020103210-A1 Nitrogen-containing heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2002-08-01 US disclosed
US-6413972-B1 5,8-DIHYDRO-3-METHYL-5-OXO-8-(1-OXO-1-PHENYL-2-PROPYL)-2 -PHENYLIMIDAZO(1,2-A)PYRIMIDINE-6-CARBOXYLIC ACID ETHYL ESTER; GONADOTROPIN-RELEASING HORMONE ANTAGONIZING ACTIVITY; LOW TOXICITY; ANTICARCINOGENIC AGENT; CONTRACEPTIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6194419-B1 THERAPY FOR SEXUAL DISORDERS; A 5-OXOIMIDAZOLO(1,2-A)PYRIMIDINE-6-CARBOXYLIC ESTER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-02-27 US disclosed
EP-1042325-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-10-11 EP disclosed
WO-1999033831-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-08 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 (4 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-20030134863-A1 Preventives/remedies for alzheimer's disease ACHE, GNRHR, PSEN1 ADH1B 2020/4885ADH1C 2795/4885ADH1A 2650/4885
US-20020103210-A1 Nitrogen-containing heterocyclic compounds, their production and use GNRHR, NR5A1, SHBG ADH1B 1955/4885ADH1C 557/4885ADH1A 1764/4885
US-20050250793-A1 Preventives/remedies for hot flash GNRHR, SHBG, FSHR ADH1B 2845/4885ADH1C 3179/4885ADH1A 3069/4885
US-20090048273-A1 PREMATURE OVULATION PREVENTIVE AGENT GNRHR, FSHR, LHCGR ADH1B 4586/4885ADH1C 4868/4885ADH1A 4862/4885

“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.