SCHEMBL17832724

SCHEMBL17832724

CCSc1cc2cnccc2cc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP17A1 P05093 1/20 0.32
▸ PTGS2 P35354 2/20 0.31
▸ ATM Q13315 1/20 0.31
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ CASP1 P29466 1/20 0.30

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
SCHEMBL17832751 0.90 ALDH1A1 (0.35) SMN1; SMN2NPC1TP53MAPTRAB9A
SCHEMBL19456039 0.86 KDM4E (0.35) SMN1; SMN2NPC1MAPTKDM4EALDH1A1
SCHEMBL21925124 0.82 KDM4E (0.37) KDM4EALDH1A1LMNAHPGD
SCHEMBL17832779 0.82 PTGS2 (0.37) SMN1; SMN2POLBNPC1TP53MAPT
SCHEMBL29814406 0.81 ALDH1A1 (0.32) SMN1; SMN2POLBNPC1MAPTKDM4E
SCHEMBL20633534 0.81 ALDH1A1 (0.32) SMN1; SMN2POLBNPC1MAPTKDM4E
SCHEMBL17514086 0.81 ALDH1A1 (0.34) SMN1; SMN2NPC1TP53MAPTRAB9A
SCHEMBL17824525 0.81 — —
SCHEMBL30958301 0.81 ALDH1A1 (0.34) SMN1; SMN2NPC1TP53MAPTRAB9A
SCHEMBL24313893 0.80 AGPAT2 (0.32) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 SMN1; SMN2 367/4885POLB 3710/4885NPC1 3324/4885
US-20170349581-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS DDT, TST, ACHE SMN1; SMN2 367/4885POLB 3710/4885NPC1 3324/4885

“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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