SCHEMBL5458013

SCHEMBL5458013

CCCNC(=S)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 1.00
MAPT P10636 4/20 0.87
GAA P10253 4/20 0.87
ALOX12 P18054 2/20 0.87
CYP1A2 P05177 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
RAB9A P51151 2/20 0.66
MAOA P21397 2/20 0.66
MAOB P27338 2/20 0.66
NPC1 O15118 1/20 0.66
LMNA P02545 5/20 0.64
ALDH1A1 P00352 4/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
HTT P42858 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
CYP3A4 P08684 1/20 0.59
TAS2R38 P59533 1/20 0.59
HSD17B10 Q99714 1/20 0.59
MEN1 O00255 2/20 0.58

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
SCHEMBL3958934 0.89 KMT2A (0.80) KMT2AMAPTGAAALOX12RAB9A
SCHEMBL8956279 0.88 KMT2A (0.78) KMT2AMAPTGAAALOX12RAB9A
SCHEMBL11438307 0.87 KMT2A (0.77) KMT2AMAPTGAAALOX12RAB9A
SCHEMBL10667599 0.86 KMT2A (0.75) KMT2AMAPTGAAALOX12RAB9A
SCHEMBL5445779 0.86 KMT2A (0.75) KMT2AMAPTGAAALOX12RAB9A
SCHEMBL11068116 0.86 KMT2A (0.75) KMT2AMAPTGAAALOX12RAB9A
SCHEMBL28223385 0.86 KMT2A (0.75) KMT2AMAPTGAAALOX12RAB9A
SCHEMBL5445981 0.86 KMT2A (0.75) KMT2AMAPTGAAALOX12RAB9A
SCHEMBL5447975 0.86 KMT2A (0.75) KMT2AMAPTGAAALOX12RAB9A
SCHEMBL5446742 0.86 KMT2A (0.75) KMT2AMAPTGAAALOX12RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119798599-A Self-repairing waterborne polyurethane and preparation method and application thereof 万华化学集团股份有限公司 2025-04-11 CN claimed
CN-108218910-A Silane of a kind of sulfur-bearing urea structure and preparation method thereof 烟台市裕盛化工有限公司 2018-06-29 CN claimed
CN-119798599-A Self-repairing waterborne polyurethane and preparation method and application thereof 万华化学集团股份有限公司 2025-04-11 CN disclosed
WO-2025024883-A1 NOVEL BROAD SPECTRUM ANTIVIRAL AND ANTIMICROBIAL PEPTIDE MIMICS NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2025-02-06 WO disclosed
CN-112574082-B Preparation method of thiourea alkylated derivative 西华大学 2022-07-29 CN disclosed
CN-112574082-A Preparation method of thiourea alkylated derivative 西华大学 2021-03-30 CN disclosed
WO-2020159407-A1 PIGMENT FOR PROTECTIVE ELEMENTS OF MULTI-LAYERED ARTICLES BASED ON SUBSTITUTED NICKEL DITHIOLENE COMPLEXES WITH ASYMMETRICAL LIGANDS Акционерное общество "Гознак" (АО "Гознак") 2020-08-06 WO disclosed
US-9567297-B2 Method for synthesizing of thioesters by using compound as catalyst NATIONAL CENTRAL UNIVERSITY (TW) 2017-02-14 US disclosed
US-20160340303-A1 Method for Synthesizing of Thioesters by Using Compound as Catalyst NATIONAL CENTRAL UNIVERSITY 2016-11-24 US disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 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 (1 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-20160340303-A1 Method for Synthesizing of Thioesters by Using Compound as Catalyst ACOT7, TST, STS KMT2A 1756/4885MAPT 4768/4885GAA 4390/4885

“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.