SCHEMBL4987199

SCHEMBL4987199

N=C(N)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.66
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP2C19 P33261 1/20 0.65
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
MRGPRX1 Q96LB2 1/20 0.60
ALDH1A1 P00352 4/20 0.60
RECQL P46063 1/20 0.58
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA9 Q16790 1/20 0.57

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
Trifluoroacetic Acid SCHEMBL17894392 0.89 LTA4H (0.61) LTA4HMEN1KMT2ACYP1A2CYP2C19
SCHEMBL23902153 0.89 F2 (0.65) LTA4HMEN1KMT2ACYP1A2CYP2C19
SCHEMBL4979973 0.87 MEN1 (0.69) LTA4HMEN1KMT2ACYP1A2CYP2C19
SCHEMBL27683541 0.84 PARP10 (0.57) LTA4HMEN1KMT2ANPC1RAB9A
SCHEMBL17894484 0.84 MAOB (0.57) LTA4HKMT2ANPC1RAB9AMRGPRX1
SCHEMBL3424405 0.84 MEN1 (0.74) LTA4HMEN1KMT2ACYP1A2CYP2C19
SCHEMBL4598560 0.84 LTA4H (0.75) LTA4HMEN1KMT2ACYP1A2CYP2C19
SCHEMBL4028152 0.83 MAPK1 (0.58) LTA4HMEN1KMT2A
SCHEMBL17894553 0.83 MAOB (0.61)
SCHEMBL9725077 0.83 MEN1 (0.72) LTA4HMEN1KMT2ACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US claimed
EP-3240775-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS Swansea University (GB) 2017-11-08 EP claimed
WO-2016108045-A2 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS SWANSEA UNIVERSITY (GB) 2016-07-07 WO claimed
US-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 US disclosed
US-7351743-B1 Therapeutic guanidines WYETH (US) 2008-04-01 US disclosed
US-20070265348-A1 N-(4-sec-butylphenyl)-N-benzylguanidine; modulate, particularly inhibit, the release of neurotransmitter such as glutamate; neurodegenerative disease: Parkinson's, Huntington's, Alzheimer's diseases, Amyotrophic Lateral Sclerosis, Down's Syndrome, epilepsy, atrophy, HIV SCION PHARMACEUTICALS, INC, A DELAWARE CORPORATION 2007-11-15 US disclosed
EP-0961618-B1 5-Pyrimidinyl-4-yl-Imidazole Derivate zur Behandlung von CSBP/RK/p38 vermittelten Erkrankungen SMITHKLINE BEECHAM CORP (US) 2004-08-04 EP disclosed
EP-0961618-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2002-07-17 EP disclosed
US-6369068-B1 Amino substituted pyrimidine containing compounds SMITHKLINE BEECHAM CORPORATION 2002-04-09 US disclosed
US-6174924-B1 Therapeutic guanidines CAMBRIDGE NEUROSCIENCE, INC. 2001-01-16 US disclosed
US-6153613-A 2,3-diketopiperazine derivatives or their salts TOYOMA CHEMICAL CO., LTD. (JP) 2000-11-28 US disclosed
US-6143791-A NERVOUS SYSTEM DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-11-07 US disclosed
EP-0961618-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-08 EP disclosed
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
US-5877174-A ANTICOAGULANTS TOYAMA CHEMICAL CO., LTD. (JP) 1999-03-02 US disclosed
US-5869660-A Process of preparing imidazole compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-02-09 US disclosed
WO-1998025619-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1998-06-18 WO disclosed
US-5739143-A Imidazole compounds and compositions SMITHKLINE BEECHAM CORPORATION (US) 1998-04-14 US disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed
EP-0805149-A1 NOVEL 2,3-DIKETOPIPERAZINE DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 1997-11-05 EP 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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB LTA4H 360/4885MEN1 3309/4885KMT2A 4411/4885
US-20070265348-A1 N-(4-sec-butylphenyl)-N-benzylguanidine; modulate, particularly inhibit, the release of neurotransmitter such as glutamate; neurodegenerative disease: Parkinson's, Huntington's, Alzheimer's diseases, Amyotrophic Lateral Sclerosis, Down's Syndrome, epilepsy, atrophy, HIV GAP43, NLN, HTT LTA4H 2488/4885MEN1 3546/4885KMT2A 1936/4885

“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.