SCHEMBL15054583

SCHEMBL15054583

O=C1[CH]CON1Cc1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 4/20 0.44
POLB P06746 3/20 0.44
KDM4E B2RXH2 3/20 0.44
APEX1 P27695 2/20 0.44
RECQL P46063 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
PSMD14 O00487 1/20 0.44
MMP2 P08253 1/20 0.44
DNMT1 P26358 1/20 0.44
PTPN7 P35236 1/20 0.44
HBB P68871 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
USP2 O75604 2/20 0.41
GLA P06280 1/20 0.41

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 0.74 GSK3A (0.46) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL2795967 0.69 ALDH1A1 (0.54) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL15055132 0.69 ALDH1A1 (0.47) TSHRALDH1A1KMT2AMAPTPOLB
SCHEMBL23009248 0.68 KDM4E (0.63) TSHRALDH1A1MEN1KMT2AMAPT
SCHEMBL15055948 0.68 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AKDM4EHSD17B10
SCHEMBL2301820 0.66
SCHEMBL7553199 0.66 ALDH1A1 (0.56) TSHRALDH1A1MAPTPOLBL3MBTL1
SCHEMBL15055647 0.66 KMT2A (0.47) TSHRALDH1A1MEN1KMT2APOLB
SCHEMBL16277156 0.66 SIGMAR1 (0.50) TSHRALDH1A1MEN1KMT2AKDM4E
SCHEMBL11362739 0.65 TSHR (0.59) TSHRALDH1A1MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-3013820-A1 BICYCLYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS BASF SE (DE) 2016-05-04 EP disclosed
EP-3013822-A1 THIOPHENE- OR FURAN-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS AS PESTICIDES Merial, Inc. (US) 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-2014206910-A1 BICYCLYL-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS BASF SE (DE) 2014-12-31 WO disclosed
WO-2014206909-A1 THIOPHENE- OR FURAN-SUBSTITUTED ISOTHIAZOLINE COMPOUNDS AS PESTICIDES 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 TSHR 3743/4885ALDH1A1 2335/4885MEN1 2856/4885
US-20160297808-A1 Thiophene- or furan-substituted isothiazoline Compounds as Pesticides PTMS, DDT, PIR TSHR 814/4885ALDH1A1 1576/4885MEN1 2818/4885
US-10407383-B2 Cyclopentene and cyclopentadiene compounds for controlling invertebrate pests PPIE, ECI1, PPID TSHR 4726/4885ALDH1A1 667/4885MEN1 2944/4885
US-20140364466-A1 Isothiazoline compounds for combating invertebrate pests PIR, ACHE, INMT TSHR 2195/4885ALDH1A1 2079/4885MEN1 2387/4885
US-20160355466-A1 CYCLOPENTENE AND CYCLOPENTADIENE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS PPIE, ECI1, PPID TSHR 4726/4885ALDH1A1 667/4885MEN1 2944/4885

“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.