SCHEMBL3245500

SCHEMBL3245500

[CH2]c1ccc(CN2CCOCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.71
SMN1; SMN2 Q16637 2/20 0.61
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
KCNJ1 P48048 1/20 0.56
NOS3 P29474 1/20 0.53
NOS1 P29475 1/20 0.53
NOS2 P35228 1/20 0.53
HIF1A Q16665 2/20 0.51
EPAS1 Q99814 2/20 0.51
HPGD P15428 1/20 0.51
CYP2A13 Q16696 2/20 0.50
NCF1 P14598 1/20 0.50
AOC3 Q16853 1/20 0.49
AKR1C3 P42330 1/20 0.49
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL15467001 0.89 HRH3 (0.87) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL26690063 0.88 HRH3 (0.71) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
Acetic Acid Methyl Ester SCHEMBL28287580 0.83 KMT2A (0.56) HRH3SMN1; SMN2ALDH1A1LMNANOS3
SCHEMBL13362301 0.82 HRH3 (0.74) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
4-(4-Chlorobenzyl)Morpholine SCHEMBL4103722 0.82 HRH3 (0.74) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL302270 0.81 HRH3 (0.74) HRH3SMN1; SMN2ALDH1A1NCF1
SCHEMBL23146342 0.81 SIGMAR1 (0.60) HRH3KCNJ1
SCHEMBL301839 0.80 HRH3 (0.71) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL19068966 0.80 HRH3 (0.71) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL22711526 0.80 HRH3 (0.71) HRH3SMN1; SMN2ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US claimed
US-11578087-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-02-14 US claimed
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. 2021-04-08 US claimed
EP-2209777-B1 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2015-07-29 EP claimed
US-20100267725-A1 Compounds, Compositions and Methods Comprising 4N-Substituted Triazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-10-21 US claimed
EP-4339192-A2 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER The Regents of the University of California (US) 2024-03-20 EP disclosed
EP-3478284-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER UNIV CALIFORNIA (US) 2023-10-04 EP disclosed
US-20230150942-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-18 US disclosed
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, LLC 2023-04-27 US disclosed
US-11578087-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2023-02-14 US disclosed
US-11560356-B2 Compounds and compositions for the treatment of cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-01-24 US disclosed
EP-3578562-B1 L-VALINATE AMIDE BENZOXABOROLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES ANACOR PHARMACEUTICALS INC (US) 2021-06-23 EP disclosed
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 US disclosed
WO-2017195069-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 WO disclosed
CN-102753541-A Carboxamide compounds and their use as calpain inhibitors iv ABBOTT GMBH & CO KG 2012-10-24 CN disclosed
US-20100267725-A1 Compounds, Compositions and Methods Comprising 4N-Substituted Triazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-10-21 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 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 (8 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-20230150942-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER TP53, HCCS, CFTR HRH3 2857/4885SMN1; SMN2 3421/4885ALDH1A1 629/4885
US-11560356-B2 Compounds and compositions for the treatment of cancer TP53, HCCS, CFTR HRH3 2857/4885SMN1; SMN2 3421/4885ALDH1A1 629/4885
US-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 HRH3 2501/4885SMN1; SMN2 442/4885ALDH1A1 585/4885
US-20100267725-A1 Compounds, Compositions and Methods Comprising 4N-Substituted Triazole Derivatives CFTR, PKD1, PKD2 HRH3 3208/4885SMN1; SMN2 4576/4885ALDH1A1 2628/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 HRH3 2578/4885SMN1; SMN2 4546/4885ALDH1A1 2115/4885
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 HRH3 2501/4885SMN1; SMN2 442/4885ALDH1A1 585/4885
US-11578087-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 HRH3 2501/4885SMN1; SMN2 442/4885ALDH1A1 585/4885
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 HRH3 2501/4885SMN1; SMN2 442/4885ALDH1A1 585/4885

“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.