SCHEMBL434839

SCHEMBL434839

COC(=O)c1occc1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL19066808 0.80 TSHR (0.43) KDM4EALDH1A1TSHRMAPTKMT2A
SCHEMBL30999728 0.79 ALDH1A1 (0.43) KDM4EALDH1A1TSHRMAPTKMT2A
SCHEMBL436271 0.78 KDM4E (0.34) KDM4EALDH1A1CHRM2CHRM4CHRM5
SCHEMBL43076 0.76 KDM4E (0.53) KDM4EALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL69723 0.76 HSD17B10 (0.44) KDM4EALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL31310778 0.74 HSD17B10 (0.43) KDM4EALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL189803 0.74 ALDH1A1 (0.46) KDM4EALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL30368537 0.74 KDM4E (0.38) KDM4EALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL22068300 0.74 CHRNA4 (0.48) KDM4EALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL2417181 0.74 CHRNB2 (0.41) KDM4EALDH1A1TSHRSMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024255697-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2024-12-19 WO disclosed
CN-115697994-B Fused quinazoline derivative, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-08-13 CN disclosed
CN-115697994-A Fused quinazoline derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-02-03 CN disclosed
US-9839623-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2017-12-12 US disclosed
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-12-08 US disclosed
US-9266896-B2 Tricyclic compounds and methods of making and using same ZAFGEN, INC. (US) 2016-02-23 US disclosed
EP-2595988-B1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN INC (US) 2014-12-17 EP disclosed
EP-2595988-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME Zafgen, Inc. (US) 2013-05-29 EP disclosed
US-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-05-16 US disclosed
WO-2012012642-A1 TRICYCLIC COMPOUNDS AND METHDS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2012-01-26 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 (2 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-20130123235-A1 Tricyclic Compounds and Methods of Making and Using Same CES2, DNPEP, METAP2 KDM4E 1272/4885ALDH1A1 855/4885HPGD 1254/4885
US-20160354338-A1 TRICYCLIC COMPOUNDS AND METHODS OF MAKING AND USING SAME CES2, DNPEP, METAP2 KDM4E 1272/4885ALDH1A1 855/4885HPGD 1254/4885

“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.