SCHEMBL19582018

SCHEMBL19582018

[CH2]c1ccc(CN2CCN(C)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.67
MC4R P32245 1/20 0.66
CHKA P35790 6/20 0.62
CA2 P00918 1/20 0.59
NCF1 P14598 1/20 0.59
PRMT6 Q96LA8 1/20 0.59
ALDH1A1 P00352 1/20 0.56
HDAC6 Q9UBN7 1/20 0.54
NPC1 O15118 2/20 0.53
TP53 P04637 2/20 0.53
RAB9A P51151 2/20 0.53
KDM4E B2RXH2 1/20 0.53
HPGD P15428 1/20 0.51
HRH3 Q9Y5N1 4/20 0.50

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
SCHEMBL82686 0.82 LMNA (0.71) LMNAMC4RCHKACA2NCF1
SCHEMBL2056138 0.82 LMNA (0.69) LMNAMC4RCHKACA2NCF1
SCHEMBL306744 0.82 LMNA (0.69) LMNAMC4RCHKACA2NCF1
SCHEMBL302270 0.81 HRH3 (0.74) NCF1ALDH1A1KDM4EHRH3
SCHEMBL1507008 0.80 LMNA (0.67) LMNAMC4RCHKACA2NCF1
SCHEMBL6072982 0.80 LMNA (0.67) LMNAMC4RCHKACA2NCF1
SCHEMBL578497 0.80 LMNA (0.67) LMNAMC4RCHKACA2NCF1
SCHEMBL21477255 0.80 LMNA (0.67) LMNAMC4RCHKACA2NCF1
SCHEMBL55983 0.80 LMNA (1.00) LMNAMC4RCHKACA2NCF1
SCHEMBL3451622 0.80 LMNA (0.67) LMNAMC4RCHKACA2NCF1

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
WO-2021109944-A1 WEAK ALKALINE CABAZITAXEL DERIVATIVE AND FORMULATION THEREOF 沈阳药科大学 2021-06-10 WO claimed
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. 2021-04-08 US claimed
WO-2021062089-A1 XANTHINE CB1 INHIBITORS GOLDFINCH BIO, INC. (US) 2021-04-01 WO claimed
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
EP-3578562-B1 L-VALINATE AMIDE BENZOXABOROLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES ANACOR PHARMACEUTICALS INC (US) 2021-06-23 EP disclosed
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. 2021-04-08 US disclosed
WO-2021062089-A1 XANTHINE CB1 INHIBITORS GOLDFINCH BIO, INC. (US) 2021-04-01 WO disclosed
US-10882872-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2021-01-05 US disclosed
US-10562921-B2 Oxaborole esters and uses thereof ANACOR PHARMACEUTICALS, INC. (US) 2020-02-18 US disclosed
EP-3578562-A1 L-VALINATE AMIDE BENZOXABOROLE DERIVATIVES FOR THE TREATMENT OF PARASITIC DISEASES Anacor Pharmaceuticals, Inc (US) 2019-12-11 EP disclosed
EP-3455227-A1 OXABOROLE ESTERS AND USES THEREOF Anacor Pharmaceuticals, Inc (US) 2019-03-20 EP disclosed
WO-2017195069-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 WO disclosed
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF ANACOR PHARMACEUTICALS, INC. (US) 2017-11-16 US disclosed
CN-100384418-C Isoxazolopyridinones and use thereof in the treatment of parkinson's disease NOVARTIS AG (CH) 2008-04-30 CN disclosed
CN-1635889-A Isoxazolopyridinones and their use in the treatment of parkinson's disease NOVARTIS AG (CH) 2005-07-06 CN 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 (6 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-20230132298-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 LMNA 2067/4885MC4R 541/4885CHKA 2114/4885
US-10882872-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 LMNA 2067/4885MC4R 541/4885CHKA 2114/4885
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 LMNA 2067/4885MC4R 541/4885CHKA 2114/4885
US-11578087-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 LMNA 2067/4885MC4R 541/4885CHKA 2114/4885
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 LMNA 2067/4885MC4R 541/4885CHKA 2114/4885
US-10562921-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 LMNA 2067/4885MC4R 541/4885CHKA 2114/4885

“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.