SCHEMBL198143

SCHEMBL198143

c1ccc(C(c2ccccc2)(c2ccccc2)n2cnnn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.45
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
ALDH1A1 P00352 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KCNN4 O15554 3/20 0.34
KCNA3 P22001 2/20 0.34
TSHR P16473 3/20 0.33
TP53 P04637 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.33
SLC22A1 O15245 1/20 0.33
NR1I2 O75469 1/20 0.33
GMNN O75496 1/20 0.33

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
SCHEMBL4876723 0.87 NOTUM (0.38) NOTUMCYP11B1CYP11B2ALDH1A1NPSR1
Phenylboronic Acid SCHEMBL988758 0.87 CA4 (0.44) NOTUMCYP11B1CYP11B2ALDH1A1NPSR1
SCHEMBL16975525 0.85 KIF11 (0.37) NOTUMCYP11B1CYP11B2ALDH1A1NPSR1
SCHEMBL2360873 0.83 KCNN4 (0.57) NOTUMCYP11B1CYP11B2ALDH1A1NPSR1
SCHEMBL8987731 0.80 NOTUM (0.42) NOTUMCYP11B1CYP11B2ALDH1A1NPSR1
SCHEMBL28835340 0.80 TPMT (0.41) NOTUMALDH1A1RAB9AKMT2AMAPT
SCHEMBL29280760 0.80 ALDH1A1 (0.41) NOTUMCYP11B1CYP11B2ALDH1A1NPSR1
SCHEMBL3370410 0.75 TAAR1 (0.39) NOTUMALDH1A1NPSR1RAB9ASMN1; SMN2
SCHEMBL1132120 0.74 ALDH1A1 (0.36) ALDH1A1NPSR1
SCHEMBL7796676 0.71 CYP11B1 (0.46) NOTUMCYP11B1CYP11B2NPSR1KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118221603-A Preparation method of valsartan 南京法恩化学有限公司 2024-06-21 CN claimed
CN-118108679-A Preparation method of N- (triphenylmethyl) -5- (4' -methylbiphenyl-2-yl) tetrazole 南京法恩化学有限公司 2024-05-31 CN claimed
CN-115322175-A Synthesis process of candesartan 安徽美诺华药物化学有限公司 2022-11-11 CN claimed
EP-2576575-B1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF UNIV FRASER SIMON (CA) 2018-09-05 EP claimed
US-9611284-B2 Prostaglandin-bisphosphonate conjugate compounds, methods of making same, and uses thereof SIMON FRASER UNIVERSITY (CA) 2017-04-04 US claimed
US-20130157984-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2013-06-20 US claimed
EP-2576575-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF Simon Fraser University (CA) 2013-04-10 EP claimed
WO-2011147034-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF SIMON FRASER UNIVERSITY (CA) 2011-12-01 WO claimed
CN-1668612-A New synthesis method of irbesartan TEVA PHARMA (IL) 2005-09-14 CN claimed
EP-0324377-B1 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids DU PONT (US) 1997-04-16 EP claimed
EP-0479903-B1 SUBSTITUTED IMIDAZOLES USEFUL AS ANGIOTENSIN II BLOCKERS DU PONT (US) 1996-02-21 EP claimed
EP-0253310-B1 Angiotensin II receptor blocking imidazoles DU PONT (US) 1994-10-26 EP claimed
CN-1088202-A Benzoglyoxaline contains pharmaceutical composition of these compounds and preparation method thereof THOMAE GMBH DR K (DE) 1994-06-22 CN claimed
EP-0479892-A1 FUSED-RING ARYL SUBSTITUTED IMIDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-15 EP claimed
EP-0479903-A1 SUBSTITUTED IMIDAZOLES. DU PONT (US) 1992-04-15 EP claimed
WO-1991000277-A1 SUBSTITUTED IMIDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-10 WO claimed
WO-1991000281-A2 FUSED-RING ARYL SUBSTITUTED IMIDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-10 WO claimed
EP-0324377-A2 Angiotensin II receptor blocking imidazoles and combinations thereof with diuretics and NSaids E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-19 EP claimed
WO-1989006233-A1 ANGIOTENSIN II RECEPTOR BLOCKING IMIDAZOLES AND COMBINATIONS THEREOF WITH DIURETICS AND NSAIDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-07-13 WO claimed
EP-0253310-A2 Angiotensin II receptor blocking imidazoles E.I. DU PONT DE NEMOURS AND COMPANY (US) 1988-01-20 EP claimed

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-20130157984-A1 PROSTAGLANDIN-BISPHOSPHONATE CONJUGATE COMPOUNDS, METHODS OF MAKING SAME, AND USES THEREOF PTGES, PTGFR, PTGIS NOTUM 297/4885CYP11B1 328/4885CYP11B2 228/4885

“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.