SCHEMBL3133945

SCHEMBL3133945

O=C(O)NCC1CCCC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.77
EPHX1 P07099 4/20 0.59
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
MMP1 P03956 1/20 0.55
MMP2 P08253 1/20 0.55
MMP3 P08254 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
CA9 Q16790 1/20 0.55
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.44
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43

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
SCHEMBL11084899 0.98 CYP2D6 (0.81) CYP2D6EPHX1CA12CA1CA2
SCHEMBL2839524 0.98 CYP2D6 (0.81) CYP2D6EPHX1CA12CA1CA2
SCHEMBL8395181 0.98 CYP2D6 (0.81) CYP2D6EPHX1CA12CA1CA2
SCHEMBL8396255 0.95
SCHEMBL4396576 0.90 CYP2D6 (0.63) CYP2D6EPHX1CA12CA1CA2
SCHEMBL217411 0.90
SCHEMBL4396572 0.90 CYP2D6 (0.63) CYP2D6EPHX1CA12CA1CA2
Hydrochloric Acid SCHEMBL4316280 0.87
SCHEMBL7022372 0.82 EPHX1 (0.69) CYP2D6EPHX1CA12CA1CA2
SCHEMBL20659995 0.82 CYP2D6 (0.56) CYP2D6EPHX1CA12CA1CA2

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 151 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2015-11-12 US claimed
EP-2892343-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS Bayer CropScience AG (DE) 2015-07-15 EP claimed
WO-2014037349-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-03-13 WO claimed
WO-2026107328-A1 AGONISTS OF PARATHYROID HORMONE 1 AND INCRETIN RECEPTORS SEPTERNA, INC. (US) 2026-05-21 WO disclosed
US-20240116927-A1 INDAZOLE INHIBITORS OF THE WNT SIGNAL PATHWAY AND THERAPEUTIC USES THEREOF MED-PATHWAYS II LIMITED (VG) 2024-04-11 US disclosed
US-11697649-B2 Indazole inhibitors of the Wnt signal pathway and therapeutic uses thereof BIOSPLICE THERAPEUTICS, INC. (US) 2023-07-11 US disclosed
WO-2023069708-A1 COMPOUNDS THAT MEDIATE PROTEIN DEGRADATION AND USES THEREOF MONTE ROSA THERAPEUTICS, INC. (US) 2023-04-27 WO disclosed
US-20230013144-A1 INDAZOLE INHIBITORS OF THE WNT SIGNAL PATHWAY AND THERAPEUTIC USES THEREOF TENARX, INC. 2023-01-19 US disclosed
EP-3915988-A1 INDAZOLE INHIBITORS OF THE WNT SIGNAL PATHWAY AND THERAPEUTIC USES THEREOF BioSplice Therapeutics, Inc. (US) 2021-12-01 EP disclosed
US-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. 2021-07-01 US disclosed
US-10947228-B2 Indazole inhibitors of the Wnt signal pathway and therapeutic uses thereof SAMUMED, LLC (US) 2021-03-16 US disclosed
WO-2013166396-A2 1H-PYRAZOLO[3,4-B]PYRIDINES AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2013-11-07 WO disclosed
WO-2013151708-A1 INDAZOLE INHIBITORS OF THE WNT SIGNAL PATHWAY AND THERAPEUTIC USES THEREOF SAMUMED, LLC (US) 2013-10-10 WO disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 US disclosed
CN-1238765-A N-(imidazoly (butyl) benzenesulphonamide derivatives with anticoagulation active SYNTHEBLABO (FR) 1999-12-15 CN disclosed
EP-0946517-A1 N-(IMIDAZOLYLBUTYL) BENZENESULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION SYNTHELABO (FR) 1999-10-06 EP disclosed
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed
WO-1998022443-A1 N-(IMIDAZOLYLBUTYL) BENZENESULPHONAMIDE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATION SYNTHELABO (FR) 1998-05-28 WO disclosed
US-5541229-A ANGIOITENSIN II ANTAGONIST AS HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
US-4426523-A Preparation of 1-amino-1,3,5-triazine-2,4(1H, 3H)-diones BAYER AKTIENGESELLSCHAFT (DE) 1984-01-17 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 (7 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-10947228-B2 Indazole inhibitors of the Wnt signal pathway and therapeutic uses thereof WNT1, WNT3, WNT3A CYP2D6 2151/4885EPHX1 2509/4885CA12 4094/4885
US-20210198239-A1 COMPOUNDS AND METHODS FOR CD73 MODULATION AND INDICATIONS THEREFOR ENTPD5, ADORA2A, ENTPD1 CYP2D6 982/4885EPHX1 629/4885CA12 560/4885
US-20150322094-A1 USE OF SUBSTITUTED 2,3-DIHYDRO-1-BENZOFURAN-4-CARBOXYLIC ACIDS OR SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS CAT, HSF1, HPD CYP2D6 512/4885EPHX1 1860/4885CA12 2197/4885
US-11697649-B2 Indazole inhibitors of the Wnt signal pathway and therapeutic uses thereof WNT1, WNT3, WNT3A CYP2D6 2151/4885EPHX1 2509/4885CA12 4094/4885
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CYP2D6 4522/4885EPHX1 1460/4885CA12 3060/4885
US-20230013144-A1 INDAZOLE INHIBITORS OF THE WNT SIGNAL PATHWAY AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A CYP2D6 2151/4885EPHX1 2509/4885CA12 4094/4885
US-20240116927-A1 INDAZOLE INHIBITORS OF THE WNT SIGNAL PATHWAY AND THERAPEUTIC USES THEREOF WNT1, WNT3, WNT3A CYP2D6 2151/4885EPHX1 2509/4885CA12 4094/4885

“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.