SCHEMBL17824490

SCHEMBL17824490

CCSc1cc2cc(Br)ccc2nc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 4/20 0.38
HTT P42858 1/20 0.38
RXFP1 Q9HBX9 5/20 0.38
PRNP P04156 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
GLA P06280 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PIM1 P11309 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
AURKA O14965 2/20 0.37
AURKB Q96GD4 2/20 0.37
PPARG P37231 2/20 0.36
NCOR2 Q9Y618 2/20 0.36
MCL1 Q07820 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL17832802 0.85 L3MBTL1 (0.42) MAPTGAATDP1ALDH1A1HTT
SCHEMBL17824438 0.84 RXFP1 (0.42) MAPTGAAALDH1A1RXFP1PRNP
SCHEMBL17824512 0.84 ALDH1A1 (0.48) MAPTGAAALDH1A1HTTRXFP1
SCHEMBL17824510 0.81 ALDH1A1 (0.54) MAPTGAAALDH1A1HTTRXFP1
SCHEMBL17824471 0.77 CDK9 (0.43) MAPTGAAALDH1A1KDM4ESMN1; SMN2
SCHEMBL20681140 0.74 PIM1 (0.46) MAPTTDP1ALDH1A1HTTRXFP1
SCHEMBL21525836 0.74 ALDH1A1 (0.45) MAPTGAAALDH1A1HTTRXFP1
SCHEMBL21586124 0.74 RXFP1 (0.36) MAPTGAATDP1ALDH1A1RXFP1
SCHEMBL18498760 0.73 ALDH1A1 (0.33) MAPTGAATDP1ALDH1A1HTT
SCHEMBL31141514 0.73 ALDH1A1 (0.33) MAPTGAATDP1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107001364-B Pesticidally active tetracyclic derivatives with sulfur-containing substituents 先正达参股股份有限公司 2020-06-16 CN disclosed
EP-3230284-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-15 EP disclosed
EP-3230284-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-15 EP disclosed
US-10308650-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-06-04 US disclosed
US-10308650-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2019-06-04 US disclosed
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATION AG (CH) 2017-12-07 US disclosed
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATION AG (CH) 2017-12-07 US disclosed
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATION AG (CH) 2017-12-07 US disclosed
EP-3230284-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS Syngenta Participations AG (CH) 2017-10-18 EP disclosed
WO-2016091731-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-16 WO disclosed
WO-2016091731-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-16 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-10308650-B2 Pesticidally active tetracyclic derivatives with sulfur containing substituents DDT, TST, ACHE MAPT 407/4885GAA 3322/4885TDP1 2163/4885
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, ACHE MAPT 407/4885GAA 3322/4885TDP1 2163/4885

“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.