SCHEMBL644338

SCHEMBL644338

N#Cc1ccc2ccc[c]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CYP17A1 P05093 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
IMPDH2 P12268 1/20 0.35
IMPDH1 P20839 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP19A1 P11511 1/20 0.33
TSHR P16473 1/20 0.33
F2 P00734 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
KLKB1 P03952 1/20 0.33
PRSS1 P07477 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ENPP2 Q13822 1/20 0.32

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
SCHEMBL5749965 0.86 CA1 (0.40) CA1CA2CYP17A1CYP11B1CYP11B2
SCHEMBL5749366 0.86 CA1 (0.40) CA1CA2CYP17A1CYP11B1CYP11B2
SCHEMBL645489 0.85 CA1 (0.44) CA1CA2CYP17A1CYP11B1CYP11B2
SCHEMBL21858097 0.78 ASIC3 (0.44) CA1CA2CYP2A6PLAUALDH1A1
SCHEMBL21858063 0.78 ASIC3 (0.47) CA1CA2
SCHEMBL22042786 0.78 CA1 (0.46) CA1CA2CYP17A1CYP11B1CYP11B2
SCHEMBL2318612 0.73 ESR1 (0.35) CA1CA2CYP17A1CYP11B1CYP11B2
SCHEMBL5748377 0.72 CA1 (0.47) CA1CA2CYP17A1CYP11B1CYP11B2
SCHEMBL756551 0.71 CYP2A6 (0.32) CYP2A6
SCHEMBL2257839 0.71 CYP3A4 (0.50) TSHRF2PLAUMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117983302-A Catalyst containing ferrocene PNP ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN claimed
CN-117983302-A Catalyst containing ferrocene PNP ligand for ethylene selective tetramerization and preparation method and application thereof 华东理工大学 2024-05-07 CN disclosed
CN-111094223-B binaphthyl compounds 罗伊特化学仪器制造公司 2023-10-27 CN disclosed
US-11072573-B2 Binaphthyl compounds REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2021-07-27 US disclosed
US-20200354299-A1 BINAPHTHYL COMPOUNDS REUTER CHEMISCHE APPARATEBAU E.K. (DE) 2020-11-12 US disclosed
EP-3676239-A1 BINAPHTHYL COMPOUNDS Reuter Chemische Apparatenbau e.K. (DE) 2020-07-08 EP disclosed
CN-111094223-A Binaphthyl compounds 罗伊特化学仪器制造公司 2020-05-01 CN disclosed
WO-2019043060-A1 BINAPHTHYL COMPOUNDS REUTER CHEMISCHE APPARATEBAU KG (DE) 2019-03-07 WO disclosed
EP-1642898-B1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD KK (JP) 2013-03-27 EP disclosed
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION Sanford-Burnham Medical Research Institute California 2012-04-19 US disclosed
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
EP-2164329-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION The Burnham Institute for Medical Research (US) 2010-03-24 EP disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2009-06-18 US disclosed
WO-2009017863-A2 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-05 WO disclosed
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 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 (6 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-20200354299-A1 BINAPHTHYL COMPOUNDS UACA, C9, C1S CA1 2130/4885CA2 1813/4885CYP17A1 453/4885
US-20120095044-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI CA1 124/4885CA2 25/4885CYP17A1 2948/4885
US-20090156560-A1 TISSUE NON-SPECIFIC ALKALINE PHOSPHATASE INHIBITORS AND USES THEREOF FOR TREATING VASCULAR CALCIFICATION ALPL, CNDP2, ALPI CA1 124/4885CA2 25/4885CYP17A1 2948/4885
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 CA1 1810/4885CA2 756/4885CYP17A1 556/4885
US-11072573-B2 Binaphthyl compounds UACA, C9, C1S CA1 2130/4885CA2 1813/4885CYP17A1 453/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 CA1 2685/4885CA2 1284/4885CYP17A1 503/4885

“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.