SCHEMBL19136172

SCHEMBL19136172

C=CCc1c(C(N)=O)cccc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 2/20 0.57
KDM4E B2RXH2 1/20 0.46
HNF4A P41235 1/20 0.42
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PARP1 P09874 4/20 0.39
IKBKB O14920 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNA4 P43681 2/20 0.38

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
SCHEMBL6278249 0.88 HNF4A (0.53) BCAT2HNF4AMEN1KMT2ASMN1; SMN2
SCHEMBL20515785 0.85 MAPT (0.43) BCAT2HNF4APLAUPLATCHRNB2
SCHEMBL9247578 0.85 HNF4A (0.42) BCAT2KDM4EHNF4APLAUPLAT
SCHEMBL8754981 0.84 KDM4E (0.47) BCAT2KDM4EKEAP1NFE2L2PARP1
SCHEMBL9614734 0.81 KDM4E (0.43) BCAT2KDM4EPARP1KMT2ASMN1; SMN2
SCHEMBL27787423 0.81 BCAT2 (0.65) BCAT2KDM4EHNF4APLAUPLAT
SCHEMBL11127846 0.80 CYP3A4 (0.60) BCAT2KDM4EHNF4AMEN1KMT2A
SCHEMBL4439618 0.80 BCAT2 (0.62) BCAT2HNF4APLAUPLATKEAP1
SCHEMBL11794524 0.79 GRM5 (0.47) BCAT2KDM4EKEAP1NFE2L2PARP1
SCHEMBL9419211 0.78 ALDH1A1 (0.45) BCAT2KDM4EKEAP1NFE2L2PARP1

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
US-10681908-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2020-06-16 US disclosed
US-10251394-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2019-04-09 US disclosed
US-9930892-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2018-04-03 US disclosed
US-9924717-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto DOW AGROSCIENCES LLC (US) 2018-03-27 US disclosed
US-20170208806-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 US disclosed
US-20170208810-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 US disclosed
US-20170208803-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 US disclosed
US-20170208805-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2017-07-27 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 (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-20170208803-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 BCAT2 2834/4885KDM4E 1908/4885HNF4A 4623/4885
US-20170208810-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 BCAT2 2834/4885KDM4E 1908/4885HNF4A 4623/4885
US-10681908-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MSMO1 BCAT2 2834/4885KDM4E 1908/4885HNF4A 4623/4885
US-10251394-B2 Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto ACHE, DDT, MSMO1 BCAT2 2834/4885KDM4E 1908/4885HNF4A 4623/4885
US-20170208806-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 BCAT2 2834/4885KDM4E 1908/4885HNF4A 4623/4885
US-20170208805-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO ACHE, DDT, MSMO1 BCAT2 2834/4885KDM4E 1908/4885HNF4A 4623/4885

“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.