SCHEMBL6702998

SCHEMBL6702998

NCCNC(=O)c1ccco1

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.74
SMN1; SMN2 Q16637 3/20 0.72
PKM P14618 1/20 0.72
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
KMT2A Q03164 4/20 0.63
MEN1 O00255 2/20 0.63
HPGD P15428 1/20 0.60
CTDSP1 Q9GZU7 1/20 0.59
TSHR P16473 1/20 0.57
GAA P10253 1/20 0.56
POLB P06746 1/20 0.55

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
SCHEMBL18906002 0.90 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL27905947 0.84 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL18906003 0.84 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL16266236 0.84 SMN1; SMN2 (1.00) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL23801253 0.83 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL6361865 0.82 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL11715571 0.82 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL18906006 0.81 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL16266237 0.81 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2PKMNPC1RAB9A
SCHEMBL31530565 0.81 RAB9A (1.00) ALDH1A1SMN1; SMN2PKMNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-8697691-B2 Alkyl 3-((2-amidoethyl)amino)-8-azabicyclo[3.2.1]octane-8-carboxylate analogs as selective M1 agonists and methods of making and using same VANDERBILT UNIVERSITY (US) 2014-04-15 US disclosed
CN-102225927-A Amide fragment-containing (Z)-type nitenpyram compound and preparation method and application thereof UNIV SHANGHAI 2011-10-26 CN disclosed
US-20110172227-A1 ALKYL 3-((2-AMIDOETHYL)AMINO)-8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXYLATE ANALOGS AS SELECTIVE M1 AGONISTS AND METHODS OF MAKING AND USING SAME VANDERBILT UNIVERSITY 2011-07-14 US disclosed
CN-102067838-A Amide fragment-containing (Z) type nitenpyram analogue pesticide and preparation method thereof UNIV SHANGHAI 2011-05-25 CN disclosed
US-20040180925-A1 Dipeptidylpeptidase-IV inhibitor KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-16 US disclosed
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP disclosed
EP-0520883-B1 2-Aminopyrimidin-4-carboxamide derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1995-07-12 EP disclosed
US-5244894-A Treating disorders involving hyperactivity of the alpha 1-adrenergic system in lower urinary tract SYNTHELABO 1993-09-14 US disclosed
EP-0520883-A1 2-Aminopyrimidin-4-carboxamide derivatives, their preparation and their use in therapy SYNTHELABO (FR) 1992-12-30 EP disclosed
US-4387099-A Alkanolamine derivatives IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-06-07 US disclosed
US-4327113-A DRUGS FOR TREATMENT OF HEART DISEASES, ADRENERGIC BLOCKING AGENTS, ETC IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-04-27 US disclosed
US-4260632-A ADRENERGIC BLOCKING AGENTS, CARDIOVASCULAR DISORDERS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1981-04-07 US disclosed
US-4221807-A ADRENERGIC BLOCKING AGENTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-09-09 US disclosed
US-4141987-A HYPOTENSIVE, ADRENERGIC BLOCKING AGENT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-02-27 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-20110172227-A1 ALKYL 3-((2-AMIDOETHYL)AMINO)-8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXYLATE ANALOGS AS SELECTIVE M1 AGONISTS AND METHODS OF MAKING AND USING SAME CHRM1, CHRM2, CHRM5 ALDH1A1 2939/4885SMN1; SMN2 1428/4885PKM 3372/4885
US-20040180925-A1 Dipeptidylpeptidase-IV inhibitor DPP4, DPP3, DPP9 ALDH1A1 925/4885SMN1; SMN2 3810/4885PKM 3028/4885

“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.