SCHEMBL3319920

SCHEMBL3319920

Fc1ccc(Cn2cncn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 15/20 0.67
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
KMT2A Q03164 1/20 0.51
LMNA P02545 2/20 0.49
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
MAPT P10636 1/20 0.49
HSP90AA1 P07900 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADRA1A P35348 1/20 0.45
CYP51A1 Q16850 1/20 0.45

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
SCHEMBL17159812 0.90 CYP19A1 (0.80) CYP19A1HDAC1HDAC6
SCHEMBL15688800 0.84 CYP19A1 (0.71) CYP19A1HDAC1HDAC6
SCHEMBL3235365 0.82 CYP19A1 (0.69) CYP19A1HDAC1HDAC6
SCHEMBL11354103 0.82 CYP19A1 (0.69) CYP19A1HDAC1HDAC6KMT2ACYP11B1
SCHEMBL306232 0.81 CYP19A1 (0.67) CYP19A1HDAC1HDAC6CYP11B1CYP11B2
SCHEMBL307542 0.81 CYP19A1 (0.67) CYP19A1HDAC1HDAC6CYP11B1CYP11B2
SCHEMBL3318872 0.81 CYP19A1 (0.67) CYP19A1HDAC1HDAC6CYP11B1CYP11B2
SCHEMBL4873932 0.81 CYP19A1 (0.67) CYP19A1HDAC1HDAC6
SCHEMBL309621 0.81 CYP19A1 (0.67) CYP19A1HDAC1HDAC6CYP3A4
Hydrochloric Acid SCHEMBL11358575 0.81 CYP19A1 (0.67) CYP19A1HDAC1HDAC6KMT2ACYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107849023-A Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2018-03-27 CN disclosed
US-20100144812-A1 Heterocyclic Sulfonamide Inhibitors of Beta Amyloid Production Containing an Azole WYETH LLP (US) 2010-06-10 US disclosed
US-7674813-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production containing an azole WYETH (US) 2010-03-09 US disclosed
EP-1709003-B1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH CORP (US) 2009-09-23 EP disclosed
US-20080249150-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH (US) 2008-10-09 US disclosed
US-7399778-B2 Heterocyclic sulfonamide inhibitors of beta amyloid production containing an azole WYETH (US) 2008-07-15 US disclosed
EP-1709003-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE Wyeth (US) 2006-10-11 EP disclosed
WO-2005073198-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE WYETH (US) 2005-08-11 WO disclosed
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole WYETH (US) 2005-08-04 US disclosed
EP-0421227-B1 1-Hydroxy-1,2,4-triazole derivatives and fungicides containing them and growth regulators BASF AG (DE) 1994-06-15 EP disclosed
EP-0421227-A2 1-Hydroxy-1,2,4-triazole derivatives and fungicides containing them and growth regulators BASF Aktiengesellschaft (DE) 1991-04-10 EP 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-20100144812-A1 Heterocyclic Sulfonamide Inhibitors of Beta Amyloid Production Containing an Azole APP, IAPP, PARK7 CYP19A1 3074/4885HDAC1 3504/4885HDAC6 3336/4885
US-20080249150-A1 HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION CONTAINING AN AZOLE APP, IAPP, PARK7 CYP19A1 3074/4885HDAC1 3504/4885HDAC6 3336/4885
US-20050171180-A1 Heterocyclic sulfonamide inhibtors of beta amyloid production containing an azole IAPP, APP, CBR3 CYP19A1 1070/4885HDAC1 3987/4885HDAC6 3741/4885

“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.