SCHEMBL15055759

SCHEMBL15055759

O=C1[CH]CON1Cc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
KDM4E B2RXH2 1/20 0.46
UBE2N P61088 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 4/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL7847451 0.80 GSK3A (0.46) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL15055778 0.75 MEN1 (0.44) CHRNB2CHRNA4ATMLMNAMAPT
SCHEMBL2687303 0.72 HTT (0.46) CHRNB2CHRNA4KDM4EUBE2NATM
SCHEMBL15055948 0.71 ALDH1A1 (0.47) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL40506 0.69 LMNA (0.61) CHRNB2CHRNA4KDM4EUBE2NATM
SCHEMBL2687300 0.69 SIRT2 (0.49) CHRNB2CHRNA4KDM4EALDH1A1HTT
SCHEMBL16026435 0.68 CHRNB2 (0.85) CHRNB2CHRNA4KDM4EALDH1A1TDP1
SCHEMBL8099601 0.67 CHRNB2 (0.70) CHRNB2CHRNA4KDM4EALDH1A1TDP1
SCHEMBL9678558 0.67 POLB (0.56) CHRNB2CHRNA4KDM4EALDH1A1HTT
SCHEMBL15054583 0.67 TSHR (0.45) KDM4EALDH1A1HTTLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105473584-B Thiophene-or furan-substituted isothiazoline compounds 勃林格殷格翰动物保健美国公司 2020-01-31 CN disclosed
US-10407383-B2 Cyclopentene and cyclopentadiene compounds for controlling invertebrate pests BASF SE (DE) 2019-09-10 US disclosed
EP-3102563-B1 CYCLOPENTENE AND CYCLOPENTADIENE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2019-04-10 EP disclosed
EP-3013822-B1 THIOPHENE- OR FURAN-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS AS PESTICIDES MERIAL INC (US) 2017-11-01 EP disclosed
US-9732051-B2 Isothiazoline compounds for combating invertebrate pests BASF SE (DE) 2017-08-15 US disclosed
EP-3102563-A1 CYCLOPENTENE AND CYCLOPENTADIENE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2016-12-14 EP disclosed
US-20160355466-A1 CYCLOPENTENE AND CYCLOPENTADIENE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2016-12-08 US disclosed
US-20160297808-A1 Thiophene- or furan-substituted isothiazoline Compounds as Pesticides MERIAL, INC. (US) 2016-10-13 US disclosed
US-20160145223-A1 Bicyclyl-Substituted Isothiazoline Compounds BASF SE (DE) 2016-05-26 US disclosed
EP-3013822-A1 THIOPHENE- OR FURAN-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS AS PESTICIDES Merial, Inc. (US) 2016-05-04 EP disclosed
EP-3013820-A1 BICYCLYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS BASF SE (DE) 2016-05-04 EP disclosed
WO-2015114157-A1 CYCLOPENTENE AND CYCLOPENTADIENE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2015-08-06 WO disclosed
WO-2014206909-A1 THIOPHENE- OR FURAN-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS AS PESTICIDES BASF SE (DE) 2014-12-31 WO disclosed
WO-2014206910-A1 BICYCLYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS BASF SE (DE) 2014-12-31 WO disclosed
US-20140364466-A1 Isothiazoline compounds for combating invertebrate pests BASF SE (DE) 2014-12-11 US disclosed
EP-2794601-A1 ISOTHIAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2014-10-29 EP disclosed
WO-2013092943-A1 ISOTHIAZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS BASF SE (DE) 2013-06-27 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 (5 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-20160145223-A1 Bicyclyl-Substituted Isothiazoline Compounds BROX, TUBA3C, SYMPK CHRNB2 4489/4885CHRNA4 3617/4885KDM4E 2113/4885
US-20160297808-A1 Thiophene- or furan-substituted isothiazoline Compounds as Pesticides PTMS, DDT, PIR CHRNB2 4534/4885CHRNA4 4041/4885KDM4E 1719/4885
US-10407383-B2 Cyclopentene and cyclopentadiene compounds for controlling invertebrate pests PPIE, ECI1, PPID CHRNB2 3734/4885CHRNA4 3697/4885KDM4E 1216/4885
US-20140364466-A1 Isothiazoline compounds for combating invertebrate pests PIR, ACHE, INMT CHRNB2 4391/4885CHRNA4 3967/4885KDM4E 2046/4885
US-20160355466-A1 CYCLOPENTENE AND CYCLOPENTADIENE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS PPIE, ECI1, PPID CHRNB2 3734/4885CHRNA4 3697/4885KDM4E 1216/4885

“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.