SCHEMBL16601902

SCHEMBL16601902

Nc1sc(-c2cccnc2)nc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
RAB9A P51151 3/20 0.51
NPC1 O15118 1/20 0.51
ALOX5 P09917 1/20 0.49
CYP2A6 P11509 6/20 0.49
CYP3A4 P08684 5/20 0.49
CYP2C19 P33261 2/20 0.49
CYP2E1 P05181 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2B6 P20813 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP1A2 P05177 3/20 0.48
LMNA P02545 1/20 0.48
CYP19A1 P11511 3/20 0.46
AXL P30530 1/20 0.46
PBRM1 Q86U86 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
ALDH1A1 P00352 2/20 0.45

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
Hydrochloric Acid SCHEMBL31734146 0.98 KDM4E (0.53) KDM4ESMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL14141885 0.83 ALOX5 (0.59) KDM4ESMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL5157521 0.80 MEN1 (0.47) KDM4ESMN1; SMN2CYP2C19CYP2C9CYP2D6
SCHEMBL14141735 0.80 RAB9A (0.51) KDM4ESMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL12040235 0.80 CYP3A4 (0.53) KDM4ESMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL290740 0.80 CYP3A4 (0.62) KDM4ESMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL289945 0.80 CYP3A4 (0.50) KDM4ESMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL289944 0.80 CYP2A6 (0.53) KDM4ESMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL544650 0.79 ALOX5 (0.55) KDM4ESMN1; SMN2RAB9ANPC1ALOX5
SCHEMBL290282 0.77 NPC1 (0.46) KDM4ESMN1; SMN2RAB9ANPC1ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108812681-B Pesticidal compositions and methods related thereto 美国陶氏益农公司 2021-02-26 CN disclosed
US-RE48057-E1 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2020-06-23 US disclosed
EP-3062619-B1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2019-07-24 EP disclosed
EP-2614826-B1 Process for preparation of thiazole derivatives DOW AGROSCIENCES LLC (US) 2017-03-01 EP disclosed
EP-2855468-B1 PROCESSES TO PRODUCE CERTAIN 2-(PYRIDINE-3-YL)THIAZOLES DOW AGROSCIENCES LLC (US) 2016-11-02 EP disclosed
US-9445597-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2016-09-20 US disclosed
EP-3062619-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS Dow AgroSciences LLC (US) 2016-09-07 EP disclosed
WO-2015061151-A9 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2016-04-21 WO disclosed
EP-2427191-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2016-03-16 EP disclosed
US-9137998-B2 Pesticidal compositions and related methods DOW AGROSCIENCES LLC (US) 2015-09-22 US disclosed
WO-2015061151-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2015-04-30 WO disclosed
US-20150111730-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC 2015-04-23 US disclosed
US-20150111731-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS CORTEVA AGRISCIENCE LLC 2015-04-23 US disclosed
US-8993769-B2 Processes to produce certain 2-(pyridine-3-yl)thiazoles DOW AGROSCIENCES, LLC. (US) 2015-03-31 US disclosed
US-8993769-B2 Processes to produce certain 2-(pyridine-3-yl)thiazoles DOW AGROSCIENCES, LLC. (US) 2015-03-31 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 (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-20150111731-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS PTMS, CNP, ACHE KDM4E 187/4885SMN1; SMN2 2389/4885RAB9A 1029/4885
US-20150111730-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS ACHE, RDX, CHRM2 KDM4E 1162/4885SMN1; SMN2 2418/4885RAB9A 30/4885

“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.