Sugi Predict

Sugi Predict / Compounds / SCHEMBL6500391

SCHEMBL6500391

SCHEMBL6500391

Cc1c(B(O)O)cccc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.67
▸ TSHR P16473 3/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ GPR35 Q9HC97 2/20 0.50
▸ HSD17B10 Q99714 1/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ POLB P06746 2/20 0.46
▸ LMNA P02545 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ERN1 O75460 1/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ RAB9A P51151 1/20 0.42

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
SCHEMBL29956172 1.00 TDP1 (0.67) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL29614987 0.82 HSD17B10 (0.54) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL28117 0.82 HSD17B10 (0.54) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL472112 0.81 TDP1 (1.00) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL16919346 0.79 TDP1 (0.48) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL29954306 0.79 TDP1 (0.48) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL12480468 0.79 TDP1 (0.48) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL22206200 0.79 TDP1 (0.48) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL17275908 0.78 ALDH1A1 (0.47) TDP1TSHRSMN1; SMN2GPR35HSD17B10
SCHEMBL3389366 0.77 TDP1 (0.65) TDP1TSHRSMN1; SMN2GPR35HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111212833-B Phenylpyridine derivatives and pharmaceutical compositions containing the same 株式会社大熊制药 2022-09-06 — — CN disclosed
EP-3696176-B1 NOVEL PHENYLPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME DAE WOONG PHARMA (KR) 2022-05-04 — — EP disclosed
US-11149019-B2 Phenylpyridine derivative and pharmaceutical composition comprising the same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2021-10-19 — — US disclosed
EP-3696176-A1 NOVEL PHENYLPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Daewoong Pharmaceutical Co., Ltd. (KR) 2020-08-19 — — EP disclosed
US-20200223821-A1 Novel Phenylpyridine Derivative and Pharmaceutical Composition Comprising the Same DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2020-07-16 — — US disclosed
CN-111212833-A Novel phenylpyridine derivative and pharmaceutical composition comprising same 株式会社大熊制药 2020-05-29 — — CN disclosed
EP-2920162-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2017-04-19 — — EP disclosed
US-9458105-B2 Inhibitors of Bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2016-10-04 — — US disclosed
US-20150291525-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN-LA ROCHE INC. 2015-10-15 — — US disclosed
EP-2920162-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2015-09-23 — — EP disclosed
EP-2718264-B1 BENZOCYCLOHEPTENE ACETIC ACIDS HOFFMANN LA ROCHE (CH) 2015-08-05 — — EP disclosed
WO-2014076104-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-05-22 — — WO disclosed
EP-2718264-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 — — EP disclosed
WO-2012168162-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 — — WO disclosed
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS FIROOZNIA FARIBORZ (US) 2012-12-06 — — US disclosed
US-8227254-B2 Sensor molecules incorporating a boronic acid sensor group CAMBRIDGE ENTERPRISE LIMITED (GB) 2012-07-24 — — US disclosed
US-8227254-B2 Sensor molecules incorporating a boronic acid sensor group CAMBRIDGE ENTERPRISE LIMITED (GB) 2012-07-24 — — US disclosed
US-20080160225-A1 Sensor Molecules Incorporating a Boronic Acid Sensor Group CAMBRIDGE ENTERPRISE LIMITED (UK) 2008-07-03 — — US disclosed
US-20080160225-A1 Sensor Molecules Incorporating a Boronic Acid Sensor Group CAMBRIDGE ENTERPRISE LIMITED (UK) 2008-07-03 — — US disclosed
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 — — 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 (5 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-20200223821-A1 Novel Phenylpyridine Derivative and Pharmaceutical Composition Comprising the Same PDCD1, PDCD5, PDCD11 TDP1 33/4885TSHR 3905/4885SMN1; SMN2 1892/4885
US-20150291525-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN TDP1 232/4885TSHR 2866/4885SMN1; SMN2 4111/4885
US-11149019-B2 Phenylpyridine derivative and pharmaceutical composition comprising the same DPYD, PDCD5, PDCD1 TDP1 42/4885TSHR 3717/4885SMN1; SMN2 2024/4885
US-20080160225-A1 Sensor Molecules Incorporating a Boronic Acid Sensor Group ME1, LDHA, ME2 TDP1 4413/4885TSHR 3941/4885SMN1; SMN2 3640/4885
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS ACAT2, ACAT1, CYP27A1 TDP1 4067/4885TSHR 3475/4885SMN1; SMN2 2829/4885

“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.