SCHEMBL302270

SCHEMBL302270

[CH2]c1ccc(CN2CCCC2)cc1

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.74
HRH4 Q9H3N8 1/20 0.65
ALDH1A1 P00352 4/20 0.63
KDM4E B2RXH2 2/20 0.63
MBTD1 Q05BQ5 1/20 0.61
L3MBTL3 Q96JM7 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
CYP2D6 P10635 1/20 0.59
CYP2C19 P33261 1/20 0.59
NCF1 P14598 1/20 0.57
CXCR4 P61073 2/20 0.55
POLB P06746 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55

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
SCHEMBL4429235 0.98 HRH3 (0.78) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL2265992 0.98 HRH3 (0.78) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL1334239 0.96 HRH3 (0.75) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL11201497 0.88 HRH3 (0.94) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL3241388 0.86 HRH3 (0.74) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL3240187 0.86 HRH3 (0.66) HRH3HRH4ALDH1A1KDM4EMBTD1
Hydrochloric Acid SCHEMBL11196296 0.85 HRH3 (0.90) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL4277270 0.85 HRH3 (1.00) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL4764364 0.84 HRH3 (0.78) HRH3HRH4ALDH1A1KDM4EMBTD1
SCHEMBL3242385 0.84 HRH3 (0.68) HRH3HRH4ALDH1A1KDM4ECYP2D6

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 18 patents. 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
JP-2012500783-A 2012-01-12 JP claimed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP 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
CN-107074860-B Methods for preparing TOLL-like receptor modulators 吉利德科学公司 2022-07-15 CN disclosed
CN-113454086-A Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists 百济神州有限公司 2021-09-28 CN disclosed
CN-113423708-A Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists 百济神州有限公司 2021-09-21 CN 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
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
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

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 HRH3 2501/4885HRH4 2771/4885ALDH1A1 585/4885
US-10882872-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 HRH3 2501/4885HRH4 2771/4885ALDH1A1 585/4885
US-20210101916-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 HRH3 2501/4885HRH4 2771/4885ALDH1A1 585/4885
US-11578087-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 HRH3 2501/4885HRH4 2771/4885ALDH1A1 585/4885
US-20170327519-A1 OXABOROLE ESTERS AND USES THEREOF OXA1L, HSD17B12, OXER1 HRH3 2501/4885HRH4 2771/4885ALDH1A1 585/4885
US-10562921-B2 Oxaborole esters and uses thereof OXA1L, HSD17B12, OXER1 HRH3 2501/4885HRH4 2771/4885ALDH1A1 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.