SCHEMBL3662033

SCHEMBL3662033

COC(=O)c1ccc(/C=N\O)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
KMT2A Q03164 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MEN1 O00255 4/20 0.43
PKM P14618 2/20 0.43
KDM4E B2RXH2 5/20 0.42
MAPT P10636 4/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GFER P55789 2/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 7/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 4/20 0.40
PTGS2 P35354 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.40
PTGS1 P23219 1/20 0.40
CA12 O43570 1/20 0.40

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
SCHEMBL3662035 1.00 RAB9A (0.44) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL18835536 0.88 RAB9A (0.44) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL18835535 0.88 RAB9A (0.44) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL15878745 0.84 SMN1; SMN2 (0.42) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL15878746 0.84 SMN1; SMN2 (0.42) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL14727929 0.84 SMN1; SMN2 (0.42) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL3123464 0.83 NPC1 (0.48) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL14963072 0.83 NPC1 (0.48) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL30008909 0.83 NPC1 (0.48) RAB9ANPC1KMT2ASMN1; SMN2MEN1
SCHEMBL3123458 0.83 NPC1 (0.48) RAB9ANPC1KMT2ASMN1; SMN2MEN1

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-20140080877-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, LLC (US) 2014-03-20 US disclosed
US-8623896-B2 Insecticidal compounds SYNGENTA CROP PROTECTION, LLC (US) 2014-01-07 US disclosed
EP-2592079-A2 Insecticidal compounds Syngenta Participations AG. (CH) 2013-05-15 EP disclosed
EP-2518068-A2 Insecticidal compounds Syngenta Participations AG. (CH) 2012-10-31 EP disclosed
EP-2238132-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2012-08-01 EP disclosed
US-20100279999-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-11-04 US disclosed
EP-2238132-A2 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2010-10-13 EP disclosed
WO-2009080250-A2 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2009-07-02 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-20100279999-A1 INSECTICIDAL COMPOUNDS CHRM1, ACHE, CHRM2 RAB9A 144/4885NPC1 732/4885KMT2A 2962/4885
US-20140080877-A1 INSECTICIDAL COMPOUNDS CHRM1, ACHE, CHRM2 RAB9A 140/4885NPC1 730/4885KMT2A 2965/4885

“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.