SCHEMBL17454082

SCHEMBL17454082

O=C(Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.52
▸ TRPV1 Q8NER1 4/20 0.52
▸ NAMPT P43490 1/20 0.49
▸ PGR P06401 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ FAAH O00519 1/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ PTGDR2 Q9Y5Y4 1/20 0.47
▸ ABL1 P00519 1/20 0.46
▸ KCNQ3 O43525 1/20 0.46
▸ KCNQ2 O43526 1/20 0.46
▸ KCNE1 P15382 1/20 0.46
▸ KCNQ1 P51787 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ RAB9A P51151 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
SCHEMBL17454092 0.94 MAPT (0.54) MAPTTRPV1NAMPTLMNAMEN1
SCHEMBL17454088 0.93 ABL1 (0.52) MAPTTRPV1PGRMEN1HTT
SCHEMBL17454037 0.93 PGR (0.47) MAPTTRPV1NAMPTPGRLMNA
SCHEMBL22756150 0.91 ABCG2 (0.46) MAPTTRPV1PGRMEN1KMT2A
SCHEMBL17454096 0.89 MEN1 (0.49) MAPTTRPV1MEN1KMT2ASMN1; SMN2
SCHEMBL22756118 0.89 PGR (0.47) MAPTTRPV1PGRMEN1KMT2A
SCHEMBL17454103 0.88 ABCG2 (0.57) MAPTTRPV1LMNASMN1; SMN2ABL1
SCHEMBL17457662 0.87 ABL1 (0.59) MAPTMEN1HTTKMT2ASMN1; SMN2
SCHEMBL11953242 0.86 CYP1A2 (0.47) MAPTTRPV1LMNAFAAHEPHX2
SCHEMBL1259137 0.86 EPHX2 (0.47) MAPTTRPV1LMNAFAAHEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174865-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-12-09 — — EP disclosed
EP-3174865-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2020-12-09 — — EP disclosed
US-9533961-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2017-01-03 — — US disclosed
US-9533961-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2017-01-03 — — US disclosed
WO-2016018875-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-02-04 — — WO disclosed
US-20160024027-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-01-28 — — US disclosed
US-20160024027-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-01-28 — — US disclosed
US-20160024027-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-01-28 — — 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-20160024027-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD MAPT 2856/4885TRPV1 361/4885NAMPT 2440/4885

“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.

Send feedback