SCHEMBL2333919

SCHEMBL2333919

CCCCCn1c[c]nn1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.36
SMPD1 P17405 4/20 0.35
TBXAS1 P24557 1/20 0.33
KDR P35968 5/20 0.33
GBA1 P04062 6/20 0.32
TLR8 Q9NR97 1/20 0.32

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
SCHEMBL20588490 0.98 SLC9A1 (0.38) SLC9A1SMPD1TBXAS1KDRGBA1
SCHEMBL3739734 0.71 FABP4 (0.39) TBXAS1
SCHEMBL293470 0.68 TBXAS1 (0.34) SLC9A1SMPD1TBXAS1KDRTLR8
SCHEMBL2470467 0.67 TBXAS1 (0.37) SMPD1TBXAS1KDRTLR8
SCHEMBL16526395 0.65 SMPD1 (0.51) SLC9A1SMPD1GBA1
SCHEMBL960665 0.65 TBXAS1 (0.40) SMPD1TBXAS1KDRTLR8
SCHEMBL959796 0.65 TBXAS1 (0.40) SMPD1TBXAS1KDRTLR8
SCHEMBL233016 0.65 MEN1 (0.65) SLC9A1SMPD1TBXAS1KDR
SCHEMBL16969284 0.64 KDR (0.37) SMPD1TBXAS1KDRTLR8
SCHEMBL20915328 0.64 MEN1 (0.62) SLC9A1SMPD1TBXAS1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10208015-B2 Aryl-triazolyl pyridines as pest control agents BAYER ANIMAL HEALTH GMBH (DE) 2019-02-19 US disclosed
US-20180369262-A1 METHODS FOR TREATING RESISTANT DISEASES USING TRIAZOLE CONTAINING MACROLIDES TETARD, INC. 2018-12-27 US disclosed
EP-2362727-B1 METHODS FOR TREATING RESISTANT DISEASES USING TRIAZOLE CONTAINING MACROLIDES CEMPRA PHARMACEUTICALS INC (US) 2018-04-11 EP disclosed
US-9901592-B2 Methods for treating resistant diseases using triazole containing macrolides CEMPRA PHARMACEUTICALS, INC. (US) 2018-02-27 US disclosed
EP-3169674-A1 ARYL-TRIAZOLYL PYRIDINES AS PEST CONTROL AGENTS Bayer Animal Health GmbH (DE) 2017-05-24 EP disclosed
WO-2016008830-A1 ARYL-TRIAZOLYL PYRIDINES AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-01-21 WO disclosed
US-20150105339-A1 METHODS FOR TREATING RESISTANT DISEASES USING TRIAZOLE CONTAINING MACROLIDES TETARD, INC. 2015-04-16 US disclosed
US-8796232-B2 Methods for treating resistant diseases using triazole containing macrolides CEMPRA PHARMACEUTICALS, INC. (US) 2014-08-05 US disclosed
US-20110201566-A1 METHODS FOR TREATING RESISTANT DISEASES USING TRIAZOLE CONTAINING MACROLIDES CEMPRA PHARMACEUTICALS, INC. (US) 2011-08-18 US 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 (4 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-20180369262-A1 METHODS FOR TREATING RESISTANT DISEASES USING TRIAZOLE CONTAINING MACROLIDES LIPA, PNLIP, LIPC SLC9A1 2887/4885SMPD1 498/4885TBXAS1 1514/4885
US-20110201566-A1 METHODS FOR TREATING RESISTANT DISEASES USING TRIAZOLE CONTAINING MACROLIDES LIPA, PNLIP, LIPC SLC9A1 2887/4885SMPD1 498/4885TBXAS1 1514/4885
US-20150105339-A1 METHODS FOR TREATING RESISTANT DISEASES USING TRIAZOLE CONTAINING MACROLIDES LIPA, CEL, TREH SLC9A1 3364/4885SMPD1 629/4885TBXAS1 986/4885
US-10208015-B2 Aryl-triazolyl pyridines as pest control agents PTMS, TYR, PDXK SLC9A1 4780/4885SMPD1 2337/4885TBXAS1 549/4885

“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.