SCHEMBL4188927

SCHEMBL4188927

[CH2]c1cccc(Nc2ccccc2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
MAPT P10636 6/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
AR P10275 1/20 0.68
HSD17B10 Q99714 7/20 0.57
TDP1 Q9NUW8 6/20 0.56
CYP3A4 P08684 6/20 0.56
TSHR P16473 5/20 0.56
KDM4E B2RXH2 3/20 0.56
LMNA P02545 3/20 0.56
GAA P10253 2/20 0.56
GFER P55789 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ALOX12 P18054 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
ALOX15 P16050 3/20 0.55
MAPK1 P28482 2/20 0.55
PTGS1 P23219 1/20 0.55
SLC6A2 P23975 1/20 0.55

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
SCHEMBL28092443 0.83 HPGD (0.59) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL9343281 0.83 MEN1 (0.46) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL678299 0.82 ALDH1A1 (1.00) ALDH1A1MAPTMEN1KMT2AAR
SCHEMBL4781334 0.77 ALDH1A1 (0.72) ALDH1A1MAPTMEN1KMT2AAR
Diphenylamine SCHEMBL5692501 0.76 HSD17B10 (0.86) ALDH1A1MAPTMEN1KMT2AAR
Diphenylamine SCHEMBL28069767 0.76 HSD17B10 (0.86) ALDH1A1MAPTMEN1KMT2AAR
Diphenylamine SCHEMBL301493 0.76 HSD17B10 (1.00) ALDH1A1MAPTMEN1KMT2AAR
Diphenylamine SCHEMBL3003404 0.76 HSD17B10 (1.00) ALDH1A1MAPTMEN1KMT2AAR
Diphenylamine SCHEMBL1619083 0.76 HSD17B10 (1.00) ALDH1A1MAPTMEN1KMT2AAR
Diphenylamine SCHEMBL229 0.76 HSD17B10 (1.00) ALDH1A1MAPTMEN1KMT2AAR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1014061-B The preparation method of pyrimidine derivatives ICI PLC (GB) 1991-09-25 CN claimed
CN-1030412-A PYRIMIDINE DERIVATIVES ICI PLC (GB) 1989-01-18 CN claimed
EP-0295839-A2 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-21 EP claimed
US-4762835-A INSECTICIDES, MITICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-09 US claimed
CN-86108825-A PYRIMIDINE DERIVATIVES 1987-07-22 CN claimed
EP-0227415-A2 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-07-01 EP claimed
JP-56039043-A None JP disclosed
US-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2009-04-30 US disclosed
US-7423033-B2 Hydroxyalkanoylaminolactams and related structures as inhibitors of aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-09-09 US disclosed
US-20080132482-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-06-05 US disclosed
US-7342008-B2 Containing a benzodiazepine ring; 2-Cyclopentylmethyl-3(S)-hydroxyl-1-oxo-5-phenylpentyl)amino-1-methyl-5-(4-fluoro-phenyl)-2,3-dihydro-1H-1,5-benzodiazepin-2-one; Alzheimer's disease and Down's Syndrome; prevent the formation of neurological deposits of amyloid protein BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-03-11 US disclosed
US-20070027132-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of Alphabeta protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-02-01 US disclosed
US-7112583-B2 Hydroxyalkanoylaminolactams and related structures as inhibitors of Aβ protein production BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2006-09-26 US disclosed
EP-0317265-A2 Novel imidate insecticides ZENECA INC. (US) 1989-05-24 EP disclosed
CN-1030412-A PYRIMIDINE DERIVATIVES ICI PLC (GB) 1989-01-18 CN disclosed
EP-0295839-A2 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-12-21 EP disclosed
US-4762835-A INSECTICIDES, MITICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-08-09 US disclosed
CN-86108825-A PYRIMIDINE DERIVATIVES 1987-07-22 CN disclosed
EP-0227415-A2 Pyrimidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-07-01 EP disclosed
JP-S5639043-A CYCLOPROPANECARBOXYLIC ACID ESTER AND INSECTICIDE AND MITICIDE NIPPON SODA CO LTD 1981-04-14 JP 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-20070027132-A1 Hydroxyalkanoylaminolactams and related structures as inhibitors of Alphabeta protein production APP, BACE1, APH1A ALDH1A1 1954/4885MAPT 37/4885MEN1 1615/4885
US-20080132482-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A ALDH1A1 2275/4885MAPT 19/4885MEN1 1606/4885
US-20090111793-A1 HYDROXYALKANOYLAMINOLACTAMS AND RELATED STRUCTURES AS INHIBITORS OF A BETA PROTEIN PRODUCTION APP, BACE1, APH1A ALDH1A1 2275/4885MAPT 19/4885MEN1 1606/4885

“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.