SCHEMBL4575974

SCHEMBL4575974

OCCCNC(=S)Nc1ccccc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.87
GAA P10253 5/20 0.87
ALDH1A1 P00352 7/20 0.74
HPGD P15428 2/20 0.74
KMT2A Q03164 6/20 0.70
RAB9A P51151 2/20 0.64
MAOA P21397 2/20 0.64
MAOB P27338 2/20 0.64
NPC1 O15118 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.62
MAPT P10636 3/20 0.58
ALOX12 P18054 1/20 0.58
CYP3A4 P08684 1/20 0.57
TAS2R38 P59533 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MEN1 O00255 2/20 0.57
MAPK1 P28482 1/20 0.57
POLB P06746 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL17595823 0.95 LMNA (0.79) LMNAGAAALDH1A1HPGDKMT2A
SCHEMBL5138189 0.89 KMT2A (0.73) LMNAGAAALDH1A1HPGDKMT2A
SCHEMBL8956279 0.86 KMT2A (0.78) LMNAGAAALDH1A1HPGDKMT2A
SCHEMBL15224205 0.84 KMT2A (0.68) LMNAGAAALDH1A1HPGDKMT2A
SCHEMBL3958934 0.84 KMT2A (0.80) LMNAGAAALDH1A1HPGDKMT2A
SCHEMBL4397577 0.83 ALDH1A1 (0.83) LMNAGAAALDH1A1HPGDKMT2A
SCHEMBL11438307 0.82 KMT2A (0.77) LMNAGAAALDH1A1HPGDKMT2A
SCHEMBL7215016 0.82 KMT2A (0.66) LMNAGAAALDH1A1HPGDKMT2A
SCHEMBL24329888 0.82 LMNA (0.67) LMNAGAAALDH1A1HPGDKMT2A
SCHEMBL3013357 0.81 KMT2A (0.64) LMNAGAAALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119080658-A Single-molecule difunctional organic catalyst and preparation method and application thereof 浙江大学 2024-12-06 CN disclosed
US-10633403-B2 N-heterocyclic phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA (US) 2020-04-28 US disclosed
US-10633403-B2 N-heterocyclic phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA (US) 2020-04-28 US disclosed
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 US disclosed
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 US disclosed
WO-2016040479-A1 N-HETEROCYCLIC PHOSPHINES THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2016-03-17 WO disclosed
US-8653259-B2 Process for synthesizing heterocyclic compounds SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2014-02-18 US disclosed
US-20080146797-A1 PROCESS FOR SYNTHESIZING HETEROCYCLIC COMPOUNDS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-06-19 US disclosed
CN-1795178-A Process for synthesizing heterocyclic compounds SANOFI AVENTIS DEUTSCHLAND (DE) 2006-06-28 CN disclosed
US-20040242560-A1 Process for synthesizing heterocyclic compounds AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-12-02 US disclosed
US-4713382-A N-phenyl-4-phenyl-1-piperazinecarboxamidines and related compounds as antiarrhythmic agents SYNTEX (U.S.A.) INC. (US) 1987-12-15 US disclosed
EP-0204265-A1 N-Phenyl-4-phenyl-1-piperazine carboxamidines and related compounds as antiarrhythmic agents LABORATOIRES SYNTEX S.A. (FR) 1986-12-10 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 (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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 LMNA 3601/4885GAA 4181/4885ALDH1A1 4621/4885
US-20080146797-A1 PROCESS FOR SYNTHESIZING HETEROCYCLIC COMPOUNDS TST, NISCH, CLIC4 LMNA 4395/4885GAA 1126/4885ALDH1A1 406/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 LMNA 3601/4885GAA 4181/4885ALDH1A1 4621/4885
US-20040242560-A1 Process for synthesizing heterocyclic compounds TST, NISCH, CLIC4 LMNA 4220/4885GAA 1253/4885ALDH1A1 317/4885

“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.