SCHEMBL7674570

SCHEMBL7674570

c1ccc(-c2ccc(Cn3cncn3)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 13/20 0.79
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 1/20 0.55
HDAC1 Q13547 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
CYP17A1 P05093 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
STS P08842 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL15688800 0.93 CYP19A1 (0.71) CYP19A1HDAC1HDAC6STS
SCHEMBL2917482 0.89 CYP19A1 (1.00) CYP19A1MAPTLMNAHDAC1HDAC6
Hydrochloric Acid SCHEMBL9382670 0.87 CYP19A1 (0.96) CYP19A1MAPTLMNAHDAC1HDAC6
SCHEMBL305828 0.87 CYP19A1 (0.97) CYP19A1MAPTKDM4EMEN1LMNA
SCHEMBL17159812 0.87 CYP19A1 (0.80) CYP19A1HDAC1HDAC6
SCHEMBL305950 0.86 CYP19A1 (0.63) CYP19A1HDAC1HDAC6
SCHEMBL10172554 0.85 CYP19A1 (1.00) CYP19A1HDAC1HDAC6CYP11B1CYP11B2
SCHEMBL15804428 0.84 CYP19A1 (0.61) CYP19A1HDAC1HDAC6CYP11B1CYP11B2
SCHEMBL9023539 0.82 CYP19A1 (0.86) CYP19A1MAPTLMNAHDAC1HDAC6
SCHEMBL6693307 0.81 CYP19A1 (0.61) CYP19A1HDAC1HDAC6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966166-B1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LTD (GB) 2013-01-23 EP disclosed
US-8093279-B2 Compound STERIX LIMITED (GB) 2012-01-10 US disclosed
US-8093279-B2 Compound STERIX LIMITED (GB) 2012-01-10 US disclosed
US-8022224-B2 1,2,4-triazol-1-yl bisphenyl derivatives for use in the treatment of endocrine-dependent tumors STERIX LIMITED (GB) 2011-09-20 US disclosed
US-8022224-B2 1,2,4-triazol-1-yl bisphenyl derivatives for use in the treatment of endocrine-dependent tumors STERIX LIMITED (GB) 2011-09-20 US disclosed
US-20100173963-A1 COMPOUND STERIX LIMITED (GB) 2010-07-08 US disclosed
US-20100173963-A1 COMPOUND STERIX LIMITED (GB) 2010-07-08 US disclosed
US-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS STERIX LIMITED (GB) 2008-12-25 US disclosed
US-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS STERIX LIMITED (GB) 2008-12-25 US disclosed
WO-2007068905-A1 1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS STERIX LIMITED (GB) 2007-06-21 WO disclosed
US-6358984-B1 FOR THERAPY OF HYPERTENSION AND/OR DISEASES SUCH AS HEART AND RENAL DISEASES LEAD CHEMICAL CO., LTD. (JP) 2002-03-19 US disclosed
US-6358984-B1 FOR THERAPY OF HYPERTENSION AND/OR DISEASES SUCH AS HEART AND RENAL DISEASES LEAD CHEMICAL CO., LTD. (JP) 2002-03-19 US disclosed
EP-0936221-A4 NOVEL 2,4-DIOXOPYRROLIDINE AND 2,4-DIOXOTETRAHYDROFURAN DERIVATIVES AND MEDICINES CONTAINING THE SAME AS THE ACTIVE INGREDIENT LEAD CHEM CO LTD (JP) 2001-12-19 EP disclosed
CN-1074412-C Novel 2, 4-dioxopyrrolidine and 2, 4-dioxotetrahydrofuran derivatives and drugs containing the same as active ingredient LEAD CHEM CO LTD (JP) 2001-11-07 CN disclosed
US-6232335-B1 A BIPHENYL TRIAZOLE COMPOUND USEFUL AS A ANGIOTENSIN II CONVERTING ENZYME INHIBITORS EFFECTIVE IN THE TREATMENT OF HYPERTENSION OR HEART FAILURE LEAD CHEMICAL CO., LTD. (JP) 2001-05-15 US disclosed
US-6232335-B1 A BIPHENYL TRIAZOLE COMPOUND USEFUL AS A ANGIOTENSIN II CONVERTING ENZYME INHIBITORS EFFECTIVE IN THE TREATMENT OF HYPERTENSION OR HEART FAILURE LEAD CHEMICAL CO., LTD. (JP) 2001-05-15 US disclosed
CN-1234032-A Novel 2, 4-dioxopyrrolidine and 2, 4-dioxotetrahydrofuran derivatives and drugs containing the same as active ingredient LEAD CHEM CO LTD (JP) 1999-11-03 CN disclosed
EP-0936221-A1 NOVEL 2,4-DIOXOPYRROLIDINE AND 2,4-DIOXOTETRAHYDROFURAN DERIVATIVES AND MEDICINES CONTAINING THE SAME AS THE ACTIVE INGREDIENT LEAD CHEMICAL COMPANY LTD. (JP) 1999-08-18 EP disclosed
EP-0936221-A1 NOVEL 2,4-DIOXOPYRROLIDINE AND 2,4-DIOXOTETRAHYDROFURAN DERIVATIVES AND MEDICINES CONTAINING THE SAME AS THE ACTIVE INGREDIENT LEAD CHEMICAL COMPANY LTD. (JP) 1999-08-18 EP disclosed
WO-1998012194-A1 NOVEL 2,4-DIOXOPYRROLIDINE AND 2,4-DIOXOTETRAHYDROFURAN DERIVATIVES AND MEDICINES CONTAINING THE SAME AS THE ACTIVE INGREDIENT LEAD CHEMICAL CO., LTD. (JP) 1998-03-26 WO 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 (2 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-20080319037-A1 1,2,4-TRIAZOL-1-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMORS CYP19A1, CYP21A2, CBR1 CYP19A1 1/4885MAPT 4869/4885KDM4E 930/4885
US-20100173963-A1 COMPOUND CBR3, CBR1, OXSR1 CYP19A1 605/4885MAPT 4768/4885KDM4E 990/4885

“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.