SCHEMBL20733619

SCHEMBL20733619

N#Cc1sc(Br)cc1C(=O)NC1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ RAB9A P51151 5/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ S100A4 P26447 1/20 0.39
▸ NPC1 O15118 4/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ TAS1R3 Q7RTX0 1/20 0.36
▸ TAS1R1 Q7RTX1 1/20 0.36
▸ TAS1R2 Q8TE23 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SMYD3 Q9H7B4 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PDE7A Q13946 1/20 0.35

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
SCHEMBL20733660 0.80 HPGD (0.38) HPGDALDH1A1RAB9AMEN1KMT2A
SCHEMBL20723613 0.80 HPGD (0.47) HPGDALDH1A1RAB9AMEN1KMT2A
SCHEMBL20733620 0.79 HPGD (0.40) HPGDALDH1A1RAB9AMEN1KMT2A
SCHEMBL23240887 0.77 MEN1 (0.49) HPGDALDH1A1RAB9AMEN1KMT2A
SCHEMBL20885363 0.75 S100A4 (0.37) HPGDALDH1A1RAB9AS100A4NPC1
SCHEMBL20876167 0.75 S100A4 (0.39) HPGDRAB9AS100A4NPC1KCNH2
SCHEMBL20733697 0.74 CTSL (0.36) —
SCHEMBL20723571 0.74 XDH (0.38) ALDH1A1MEN1KMT2A
SCHEMBL20876195 0.72 KDM4E (0.43) HPGDALDH1A1KMT2ACYP1A2CYP2C19
SCHEMBL20723582 0.66 KDM4E (0.48) ALDH1A1MEN1KMT2AL3MBTL1

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
US-20230148600-A1 PESTICIDALLY ACTIVE THIOPHENE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2023-05-18 — — US disclosed
US-20230148600-A1 PESTICIDALLY ACTIVE THIOPHENE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2023-05-18 — — US disclosed
EP-3665170-B1 PESTICIDALLY ACTIVE THIOPHENE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2021-09-15 — — EP disclosed
US-20200245624-A1 PESTICIDALLY ACTIVE THIOPHENE DERIVATIVES SYNGENTA PARTICIPATIONS AG (SE) 2020-08-06 — — US disclosed
WO-2019068820-A1 PESTICIDALLY ACTIVE PYRROLE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-04-11 — — WO disclosed
WO-2019030357-A1 PESTICIDALLY ACTIVE THIOPHENE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-02-14 — — WO 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-20200245624-A1 PESTICIDALLY ACTIVE THIOPHENE DERIVATIVES ACHE, DDT, GSTP1 HPGD 3314/4885ALDH1A1 522/4885RAB9A 217/4885
US-20230148600-A1 PESTICIDALLY ACTIVE THIOPHENE DERIVATIVES ACHE, DDT, GSTP1 HPGD 3073/4885ALDH1A1 444/4885RAB9A 313/4885

“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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