SCHEMBL2836336

SCHEMBL2836336

O=C(NCCc1ccccc1)c1cc(Cl)nc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.69
ACHE P22303 2/20 0.69
RAB9A P51151 10/20 0.66
NPC1 O15118 9/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
TAAR1 Q96RJ0 1/20 0.65
HDAC2 Q92769 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
HDAC6 Q9UBN7 2/20 0.59
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
KDM4E B2RXH2 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL8975296 0.84 BCHE (0.72) BCHEACHENPC1SMN1; SMN2HDAC2
SCHEMBL23309559 0.82 RAB9A (0.66) RAB9ANPC1SMN1; SMN2HDAC2HDAC8
SCHEMBL751214 0.80 HDAC2 (0.80) RAB9ANPC1SMN1; SMN2TAAR1HDAC2
SCHEMBL28551980 0.80 RAB9A (0.74) RAB9ANPC1SMN1; SMN2TAAR1HDAC2
SCHEMBL7703395 0.79 RAB9A (1.00) RAB9ANPC1SMN1; SMN2HDAC2HDAC8
SCHEMBL14434544 0.79 CNR1 (0.68) RAB9ANPC1SMN1; SMN2TAAR1HDAC2
Hydrochloric Acid SCHEMBL28193721 0.79 HDAC2 (0.77) RAB9ANPC1SMN1; SMN2TAAR1HDAC2
SCHEMBL8923634 0.78 NPC1 (0.68) BCHEACHERAB9ANPC1SMN1; SMN2
SCHEMBL9011235 0.78 RAB9A (0.73) RAB9ANPC1SMN1; SMN2HDAC2HDAC8
SCHEMBL14456881 0.78 HDAC2 (0.71) RAB9ANPC1SMN1; SMN2TAAR1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210120817-A1 PLANT DISEASE CONTROL AGENT MEIJI SEIKA PHARMA CO., LTD. (JP) 2021-04-29 US disclosed
WO-2020054531-A1 PLANT DISEASE CONTROL AGENT Meiji Seikaファルマ株式会社 2020-03-19 WO disclosed
US-8618023-B2 Microbiocides SYNGENTA CROP PROTECTION, LLC (US) 2013-12-31 US disclosed
US-20100022570-A1 NOVEL MICROBIOCIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-01-28 US disclosed
EP-2018367-B1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2009-11-18 EP disclosed
EP-2018367-A1 NOVEL MICROBIOCIDES Syngeta Participations AG (CH) 2009-01-28 EP disclosed
WO-2007134799-A1 NOVEL MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2007-11-29 WO disclosed
WO-2001064644-A1 DICHLOROPYRIDYL- AND DICHLOROISOTHIAZOLYL-THIOCARBOXAMIDES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-09-07 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-20100022570-A1 NOVEL MICROBIOCIDES QSOX1, MSR1, NOX1 BCHE 3488/4885ACHE 2732/4885RAB9A 623/4885
US-20210120817-A1 PLANT DISEASE CONTROL AGENT BROX, ALG1, CTRL BCHE 1307/4885ACHE 761/4885RAB9A 286/4885

“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.