SCHEMBL18622665

SCHEMBL18622665

Cc1ccc(F)cc1N1CCN=C1N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 2/20 0.42
▸ P2RX7 Q99572 2/20 0.40
▸ NISCH Q9Y2I1 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ HTR7 P34969 3/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA4 P22748 2/20 0.35
▸ CA7 P43166 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.34

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 SCHEMBL18606166 0.98 SIGMAR1 (0.44) SIGMAR1P2RX7NISCHHDAC8L3MBTL1
SCHEMBL18622667 0.73 ALDH1A1 (0.46) SIGMAR1HDAC8ALDH1A1LMNACA1
Bromide SCHEMBL18606181 0.72 ALDH1A1 (0.48) SIGMAR1HDAC8ALDH1A1LMNACA1
SCHEMBL18622664 0.71 SMARCA2 (0.46) SIGMAR1HDAC8ALDH1A1LMNASCN9A
SCHEMBL10094732 0.70 P2RX7 (0.48) P2RX7HTR7SCN9AHSD17B10
Bromide SCHEMBL18606167 0.70 SMARCA2 (0.44) SIGMAR1HDAC8ALDH1A1LMNASCN9A
SCHEMBL23717773 0.68 ALDH1A1 (0.53) L3MBTL1ALDH1A1HTR7GAAHTT
SCHEMBL22400161 0.68 ALDH1A1 (0.49) P2RX7L3MBTL1ALDH1A1HTR7GAA
SCHEMBL5394610 0.67 SIGMAR1 (0.44) SIGMAR1HDAC8ALDH1A1LMNAGAA
SCHEMBL16387109 0.66 ALDH1A1 (0.62) L3MBTL1ALDH1A1LMNAGAAHTT

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 6 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
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
WO-2017044314-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-03-16 — — WO disclosed
US-20170073316-A1 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2017-03-16 — — 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 (1 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 3628/4885P2RX7 295/4885NISCH 409/4885

“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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