SCHEMBL14321632

SCHEMBL14321632

C=Cc1ccc(-n2ncnc2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ PCSK9 Q8NBP7 1/20 0.34
▸ BRD4 O60885 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ XDH P47989 1/20 0.30

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
SCHEMBL14321089 0.78 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL27958684 0.76 ALDH1A1 (0.38) ALDH1A1NPSR1
SCHEMBL14321389 0.76 TSHR (0.35) ALDH1A1TSHRNPSR1
SCHEMBL24185658 0.76 NPC1 (0.40) ALDH1A1PCSK9BRD4TSHRNPSR1
SCHEMBL21849283 0.76 CYP1A2 (0.41) ALDH1A1TSHR
SCHEMBL10166462 0.75 MAPK1 (0.41) ALDH1A1TSHR
SCHEMBL27958683 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL28332948 0.73 MAPK9 (0.37) PCSK9BRD4
SCHEMBL27958711 0.72 MAPT (0.34) ALDH1A1TSHR
Bromide SCHEMBL11376966 0.71 XDH (0.47) ALDH1A1TSHRNPSR1XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106165684-B Pesticidal compositions and methods relating thereto 陶氏益农公司 2019-06-14 — — CN disclosed
EP-3491922-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2019-06-05 — — EP disclosed
EP-3491922-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2019-06-05 — — EP disclosed
CN-105025715-B Pesticidal compositions and methods related thereto 美国陶氏益农公司 2018-11-16 — — CN disclosed
EP-2934135-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 — — EP disclosed
EP-2934118-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 — — EP disclosed
EP-2934118-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 — — EP disclosed
EP-2934135-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 — — EP disclosed
EP-2934142-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 — — EP disclosed
EP-2934142-B1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-01-31 — — EP disclosed
US-20140171310-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-06-19 — — US disclosed
US-20140171310-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-06-19 — — US disclosed
US-20140171310-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-06-19 — — US disclosed
US-20140171314-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-06-19 — — US disclosed
EP-2723729-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2014-04-30 — — EP disclosed
WO-2012177813-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-12-27 — — WO disclosed
WO-2012177813-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-12-27 — — WO disclosed
US-20120329649-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC 2012-12-27 — — US disclosed
US-20120329649-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC 2012-12-27 — — US disclosed
US-20120329649-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC 2012-12-27 — — 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-20140171310-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 854/4885PCSK9 2992/4885BRD4 4730/4885
US-20120329649-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 854/4885PCSK9 2992/4885BRD4 4730/4885
US-20140171314-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS ALDH1A1 854/4885PCSK9 2992/4885BRD4 4730/4885

“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.

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