SCHEMBL725564

SCHEMBL725564

NC1=NCCN1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 1.00
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
DNMT1 P26358 1/20 0.40
RAD52 P43351 1/20 0.40
UHRF1 Q96T88 1/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
GFER P55789 1/20 0.39

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
Bromide SCHEMBL4392392 0.98 SIGMAR1 (1.00) SIGMAR1CA1CA2CA4CA7
SCHEMBL8295478 0.79 SIGMAR1 (0.66) SIGMAR1CA1CA2CA4CA7
SCHEMBL9203668 0.77 SIGMAR1 (0.62) SIGMAR1CA1CA2CA4CA7
SCHEMBL5584213 0.77 SIGMAR1 (0.62) SIGMAR1CA1CA2CA4CA7
SCHEMBL5121302 0.77 CA1 (0.66) SIGMAR1CA1CA2CA4CA7
SCHEMBL28945111 0.76 SIGMAR1 (0.61) SIGMAR1CA1CA2CA4CA7
SCHEMBL28945130 0.76 SIGMAR1 (0.61) SIGMAR1CA1CA2CA4CA7
SCHEMBL6424629 0.76 SIGMAR1 (0.61) SIGMAR1
Hydrochloric Acid SCHEMBL1697524 0.75 CA1 (0.64) SIGMAR1CA1CA2CA4CA7
SCHEMBL9803211 0.75 SIGMAR1 (0.60) SIGMAR1CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3347341-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-04-28 EP disclosed
CN-108349881-A Molecule and relative intermediate, composition and method with desinsection effectiveness 美国陶氏益农公司 2018-07-31 CN disclosed
US-9758491-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-09-12 US disclosed
US-9758491-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-09-12 US disclosed
US-20170073316-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-03-16 US disclosed
US-20170073316-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-03-16 US disclosed
WO-2017044314-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-16 WO disclosed
US-8646616-B2 Composite membrane with coating comprising polyalkylene oxide and imidazol compounds DOW GLOBAL TECHNOLOGIES LLC (US) 2014-02-11 US disclosed
CN-101253177-B Bicyclic heterocycles as HIV integrase inhibitors BRISTOL MYERS SQUIBB CO 2012-09-19 CN disclosed
EP-1919921-B1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-06-27 EP disclosed
WO-2011149572-A1 POLYAMIDE MEMBRANE WITH COATING COMPRISING POLYALKYLENE OXIDE AND IMIDAZOL COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC (US) 2011-12-01 WO disclosed
US-20110284454-A1 COMPOSITE MEMBRANE WITH COATING COMPRISING POLYALKYLENE OXIDE AND IMIDAZOL COMPOUNDS DOW GLOBAL TECHNOLOGIES LLC 2011-11-24 US disclosed
US-7494984-B2 Substituted imidazo[1,2-a]pyrimidines as HIV viral DNA integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-24 US disclosed
CN-101253177-A Bicyclic heterocycles as HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2008-08-27 CN disclosed
WO-2007027754-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-08 WO disclosed
US-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-03-01 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 (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-20170073316-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MLYCD SIGMAR1 3628/4885CA1 2639/4885CA2 531/4885
US-20070049606-A1 Bicyclic heterocycles as HIV-integrase inhibitors CCNI, APOBEC3C, CDKN1A SIGMAR1 3960/4885CA1 4764/4885CA2 4288/4885

“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.