SCHEMBL4990040

SCHEMBL4990040

O=CNCc1ccccc1O

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.65
CYP2D6 P10635 1/20 0.65
HIF1A Q16665 1/20 0.65
CA12 O43570 6/20 0.62
CA2 P00918 6/20 0.62
CA9 Q16790 5/20 0.62
KDM4E B2RXH2 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MPO P05164 5/20 0.55
PKM P14618 1/20 0.53
ADH1B P00325 1/20 0.52
ADH1C P00326 1/20 0.52
ADH1A P07327 1/20 0.52
ADH7 P40394 1/20 0.52
SLC6A4 P31645 1/20 0.52
HSPA5 P11021 1/20 0.48
AKR1B1 P15121 1/20 0.47

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
SCHEMBL8763191 0.84 ADH1B (0.62) TSHRCYP2D6HIF1ACA12CA2
SCHEMBL30595834 0.84 ADH1B (0.62) TSHRCYP2D6HIF1ACA12CA2
SCHEMBL5072950 0.80 MPO (0.61) TSHRCYP2D6HIF1ACA12CA2
SCHEMBL2733931 0.80 TSHR (0.61) TSHRCYP2D6HIF1ACA12CA2
SCHEMBL460754 0.80 TSHR (1.00) TSHRCYP2D6HIF1ACA12CA2
SCHEMBL8763256 0.78 ADH1B (0.56) TSHRCYP2D6HIF1ACA12CA2
Catechol SCHEMBL27790303 0.78 ADH1B (0.80) CA12CA2MPOPKMADH1B
SCHEMBL7294140 0.77 MPO (0.64) TSHRCYP2D6HIF1ACA12CA2
SCHEMBL8379179 0.77 ADH1B (0.54) TSHRCYP2D6HIF1ACA12CA2
SCHEMBL5546697 0.77 ADH1B (0.54) TSHRCYP2D6HIF1ACA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425638-B2 Cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2008-09-16 US claimed
EP-1638942-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-29 EP claimed
WO-2005003097-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 WO claimed
US-20040259884-A1 Cis-imidazolines HALEY GREGORY JAY (US) 2004-12-23 US claimed
US-5071735-A SILVER HALIDE COLOR PHOTOGRAPHIC MATERIAL CONTAINING A COMPOUND RELEASING A DIR COMMAND UPON REACTION WITH AN OXIDIZED DEVELOPING AGENT FUJI PHOTO FILM CO., LTD. (JP) 1991-12-10 US claimed
EP-0362870-A2 Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1990-04-11 EP claimed
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS, LTD. (CH) 2008-12-18 US disclosed
US-7427613-B2 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension, cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2008-09-23 US disclosed
US-7425638-B2 Cis-imidazolines HOFFMANN-LA ROCHE INC. (US) 2008-09-16 US disclosed
EP-1638942-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2006-03-29 EP disclosed
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 US disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
WO-2005003097-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES F. HOFFMANN-LA ROCHE AG (CH) 2005-01-13 WO disclosed
EP-0503658-A1 Silver halide colour photographic light sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1992-09-16 EP disclosed
US-5071735-A SILVER HALIDE COLOR PHOTOGRAPHIC MATERIAL CONTAINING A COMPOUND RELEASING A DIR COMMAND UPON REACTION WITH AN OXIDIZED DEVELOPING AGENT FUJI PHOTO FILM CO., LTD. (JP) 1991-12-10 US disclosed
EP-0362870-A2 Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1990-04-11 EP disclosed
US-4044153-A ANTIEDEMIC MERCK & CO., INC. (US) 1977-08-23 US disclosed
US-4044153-A ANTIEDEMIC MERCK & CO., INC. (US) 1977-08-23 US disclosed
US-3979361-A ANTIEDEMA, ANTIINFLAMMATORY MERCK & CO., INC. (US) 1976-09-07 US disclosed
US-3979361-A ANTIEDEMA, ANTIINFLAMMATORY MERCK & CO., INC. (US) 1976-09-07 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-20040259884-A1 Cis-imidazolines TP53, MDM2, TP53BP1 TSHR 2923/4885CYP2D6 3283/4885HIF1A 2497/4885
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE TSHR 2730/4885CYP2D6 14/4885HIF1A 2021/4885
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES REN, AGTR1, ACE TSHR 2730/4885CYP2D6 14/4885HIF1A 2021/4885

“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.