SCHEMBL45762

SCHEMBL45762

N=C(N)Nc1ccccc1C(N)=O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
POLB P06746 2/20 0.60
ALDH1A1 P00352 5/20 0.57
HPGD P15428 2/20 0.57
PDCD1 Q15116 1/20 0.56
CD274 Q9NZQ7 1/20 0.56
LMNA P02545 2/20 0.54
SIRT2 Q8IXJ6 1/20 0.51
TP53 P04637 1/20 0.51
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
MAPT P10636 1/20 0.50
PKM P14618 1/20 0.50
MAPK14 Q16539 1/20 0.50
CASP3 P42574 1/20 0.49
SENP7 Q9BQF6 1/20 0.49

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
SCHEMBL30139987 1.00 KDM4E (0.60) KDM4ESMN1; SMN2POLBALDH1A1HPGD
SCHEMBL233797 0.86 KMT2A (0.57) KDM4ESMN1; SMN2POLBALDH1A1HPGD
Benzene SCHEMBL27690342 0.86 KMT2A (0.57) KDM4ESMN1; SMN2POLBALDH1A1HPGD
SCHEMBL7313744 0.86 KDM4E (0.46) KDM4ESMN1; SMN2POLBALDH1A1HPGD
SCHEMBL5365142 0.85 KDM4E (0.65) KDM4ESMN1; SMN2POLBALDH1A1HPGD
SCHEMBL9302227 0.85 KMT2A (0.49) KDM4ESMN1; SMN2POLBALDH1A1HPGD
Hydrochloric Acid SCHEMBL6013658 0.85 KMT2A (0.55) KDM4ESMN1; SMN2POLBALDH1A1HPGD
SCHEMBL10816174 0.83 KDM4E (0.42) KDM4ESMN1; SMN2POLBALDH1A1HPGD
Hydrochloric Acid SCHEMBL11793085 0.83 KDM4E (0.46) KDM4ESMN1; SMN2POLBALDH1A1HPGD
SCHEMBL11760578 0.83 GAA (0.61) KDM4ESMN1; SMN2POLBALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115997016-A Composition comprising nucleic acid nanoparticles having modular functional groups 西克斯福德生物科学有限公司 2023-04-21 CN claimed
US-20060148901-A1 Acylated 4-amidino-and-4-guanidinobenzylamines for inhibition of plasma kallikrein THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2006-07-06 US claimed
CN-1168707-C 4-guanidinobenzamides antifertility compounds 中国人民解放军第二军医大学 2004-09-29 CN claimed
CN-1401634-A 4-guanidinobenzamides antifertility compounds NO 2 MILITARY MEDICINE UNIV PL (CN) 2003-03-12 CN claimed
CN-115997016-A Composition comprising nucleic acid nanoparticles having modular functional groups 西克斯福德生物科学有限公司 2023-04-21 CN disclosed
EP-2933265-B1 Pharmacological chaperones for treating obesity AMICUS THERAPEUTICS INC (US) 2018-11-14 EP disclosed
EP-1885366-B1 PHARMACOLOGICAL CHAPERONES FOR TREATING OBESITY AMICUS THERAPEUTICS INC (US) 2018-05-30 EP disclosed
US-9937165-B2 Pharmacological chaperones for treating obesity AMICUS THERAPEUTICS, INC. (US) 2018-04-10 US disclosed
US-9493456-B2 Pyrazolopyridine and pyrazolopyrimidine derivatives as melanocortin-4 receptor modulators UNIVERSITE DE MONTREAL (CA) 2016-11-15 US disclosed
US-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS UNIVERSITE DE MONTREAL (CA) 2016-10-13 US disclosed
US-20160287581-A1 Pharmacological Chaperones for Treating Obesity WILMINGTON TRUST, NATIONAL ASSOCIATION 2016-10-06 US disclosed
US-9381194-B2 Pharmacological chaperones for treating obesity AMICUS THERAPEUTICS, INC. (US) 2016-07-05 US disclosed
WO-2001070204-A2 HIGHLY SELECTIVE INHIBITORS OF THE UROKINASE PLASMINOGEN ACTIVATOR WILEX AG (DE) 2001-09-27 WO disclosed
CN-1243505-A Benzamidine derivatives AJINOMOTO KK (JP) 2000-02-02 CN disclosed
US-5274162-A Antineoplastic drugs with bipolar toxification/detoxification functionalities GLAZIER ARNOLD (US) 1993-12-28 US disclosed
EP-0343894-B1 BENZAMIDE PROTEASE INHIBITORS PFIZER INC. (US) 1992-06-10 EP disclosed
US-4948901-A ANTI-PLASMIN AND ANTI-THROMBIN AGENTS PFIZER INC. (US) 1990-08-14 US disclosed
US-4948891-A ANTI-PLASMIN AND ANTI-THROMBIN AGENTS PFIZER INC. (US) 1990-08-14 US disclosed
EP-0343894-A1 Benzamide protease inhibitors PFIZER INC. (US) 1989-11-29 EP disclosed
US-4874864-A ANTIPLASMIN, ANTITHROMBIN AGENTS PFIZER INC. (US) 1989-10-17 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 (3 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-20160296507-A1 IMIDAZOPYRIDINE, IMIDAZOPYRIMIDINE AND IMIDAZOPYRAZINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC1R KDM4E 2810/4885SMN1; SMN2 3151/4885POLB 4344/4885
US-20160287581-A1 Pharmacological Chaperones for Treating Obesity HSPA5, MC4R, HSPA4 KDM4E 2389/4885SMN1; SMN2 3319/4885POLB 4660/4885
US-20060148901-A1 Acylated 4-amidino-and-4-guanidinobenzylamines for inhibition of plasma kallikrein F12, F11, F2 KDM4E 296/4885SMN1; SMN2 3548/4885POLB 3712/4885

“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.