SCHEMBL18179821

SCHEMBL18179821

Cn1c(-c2sc(-c3ccc(Cl)cc3)nc2Br)nc2cc(C(F)(F)F)ncc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ HRH3 Q9Y5N1 4/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALOX5 P09917 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ALPL P05186 1/20 0.31
▸ ALPI P09923 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31

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
SCHEMBL18173825 0.84 LMNA (0.36) LMNAHRH3MEN1KMT2APTGDR2
SCHEMBL18179713 0.83 PTGS2 (0.35) PTGS2LMNAPTGS1MEN1KMT2A
SCHEMBL18173863 0.78 LMNA (0.36) LMNAHRH3MEN1KMT2APTGDR2
SCHEMBL18179728 0.78 PTGS2 (0.35) PTGS2LMNAPTGS1MEN1KMT2A
SCHEMBL18179706 0.77 PTGDR2 (0.33) PTGS2LMNAPTGS1HRH3MEN1
SCHEMBL18173866 0.76 CYP11B1 (0.31) —
SCHEMBL18179701 0.76 PTGS1 (0.32) PTGS2LMNAPTGS1
SCHEMBL18173822 0.76 LMNA (0.34) PTGS2LMNAPTGS1PTGDR2ALDH1A1
SCHEMBL18173815 0.76 MCHR1 (0.34) LMNA
SCHEMBL18179714 0.76 PTGS1 (0.35) PTGS2PTGS1

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-3656770-A2 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYCLES Syngenta Participations AG (CH) 2020-05-27 — — EP disclosed
EP-3286187-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2019-09-18 — — EP disclosed
US-20180099970-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 — — US disclosed
US-20180099970-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-12 — — US disclosed
WO-2016169886-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES SYNGENTA CROP PROTECTION AG (CH) 2016-10-27 — — 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 (1 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-20180099970-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYLES DDT, NIT2, SQOR PTGS2 186/4885LMNA 4408/4885PTGS1 248/4885

“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.

Send feedback