SCHEMBL5527432

SCHEMBL5527432

COc1ccccc1CNC(N)=S

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
NPSR1 Q6W5P4 1/20 0.59
ALDH1A1 P00352 4/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
MEN1 O00255 4/20 0.58
LMNA P02545 2/20 0.58
HPGD P15428 3/20 0.58
KDM4E B2RXH2 1/20 0.56
RCE1 Q9Y256 1/20 0.56
HTT P42858 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
HDAC1 Q13547 1/20 0.54
POLB P06746 2/20 0.54

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
SCHEMBL2381142 0.85 KMT2A (0.52) KMT2ANPSR1ALDH1A1GAAMAPT
SCHEMBL4018757 0.83 NPSR1 (0.59) KMT2ANPSR1ALDH1A1GAAMAPT
SCHEMBL1520822 0.83 NPSR1 (0.68) KMT2ANPSR1ALDH1A1GAAMAPT
SCHEMBL2204065 0.80 NPSR1 (0.64) KMT2ANPSR1ALDH1A1GAAMAPT
SCHEMBL2226834 0.79 APLNR (0.63) NPSR1ALDH1A1GAAHPGDHTT
SCHEMBL14750301 0.79 POLB (0.50) KMT2ANPSR1ALDH1A1GAAMAPT
SCHEMBL14670856 0.78 HPGD (0.70) KMT2ANPSR1ALDH1A1GAAMEN1
SCHEMBL27766295 0.78 ATM (0.60) KMT2ANPSR1GAAMAPTMEN1
SCHEMBL12884376 0.78 LMNA (0.72) KMT2ANPSR1ALDH1A1MAPTMEN1
SCHEMBL2938380 0.77 KMT2A (0.69) KMT2ANPSR1ALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104902932-A Chemical indicating composition, autoclave tape, and method for preparing autoclave tape 3M INNOVATIVE PROPERTIES CO 2015-09-09 CN claimed
US-20230320941-A1 DENTAL COMPOSITION, KIT AND METHOD FOR USE AS ALTERNATIVE RESTORATIVE MATERIAL TO DENTAL AMALGAM SDI LIMITED (AU) 2023-10-12 US disclosed
CN-116600766-A Dental composition, kit and method for use as restorative material for replacement of dental amalgam SDI有限公司 2023-08-15 CN disclosed
EP-4196077-A1 DENTAL COMPOSITION, KIT AND METHOD FOR USE AS ALTERNATIVE RESTORATIVE MATERIAL TO DENTAL AMALGAM Sdi Limited (AU) 2023-06-21 EP disclosed
WO-2022032351-A1 DENTAL COMPOSITION, KIT AND METHOD FOR USE AS ALTERNATIVE RESTORATIVE MATERIAL TO DENTAL AMALGAM SDI LIMITED (AU) 2022-02-17 WO disclosed
US-20210186906-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-24 US disclosed
US-9353089-B2 Compositions and methods for the treatment of malaria SAINT LOUIS UNIVERSITY (US) 2016-05-31 US disclosed
CN-104902932-A Chemical indicating composition, autoclave tape, and method for preparing autoclave tape 3M INNOVATIVE PROPERTIES CO 2015-09-09 CN disclosed
WO-2014160775-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA SAINT LOUIS UNIVERSITY (US) 2014-10-02 WO disclosed
US-20140296532-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA GUANGZHOU INSTITUTES OF BIOMEDICINE AND HEALTH, CHINESE ACADEMY OF SCIENCES (CN) 2014-10-02 US disclosed
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 US disclosed
CN-1359373-A 6- [ [ (aryl and heteroaryl) oxy ] methyl ] -naphthyl-2-carboximidamide derivatives, process for their preparation and their use in therapy SANOFI SYNTHELABO (FR) 2002-07-17 CN disclosed
WO-2000012492-A1 BENZOXAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-03-09 WO disclosed
US-4116957-A ANTIBIOTIC, ANTIBACTERIAL ARCHIFAR INDUSTRIE CHIMICHE DEL TRENTINO S.P.A. (IT) 1978-09-26 US disclosed
US-3991008-A METHACRYLATE MONOMER, HYDROPEROXIDE OXIDIZER, THIOUREA REDUCING AGENT THE KENDALL COMPANY (US) 1976-11-09 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 KMT2A 792/4885NPSR1 62/4885ALDH1A1 2069/4885
US-20140296532-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF MALARIA BACE2, DNPEP, ACE KMT2A 960/4885NPSR1 2755/4885ALDH1A1 1822/4885
US-20210186906-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS TRPV1, TRPV2, TRPV3 KMT2A 2886/4885NPSR1 216/4885ALDH1A1 3850/4885

“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.