SCHEMBL2850890

SCHEMBL2850890

CCOc1cc(B(O)O)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
WDR5 P61964 1/20 0.39
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
KDM4E B2RXH2 1/20 0.38
KDM1A O60341 2/20 0.36
ENPP2 Q13822 1/20 0.36

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
SCHEMBL8351 0.86 KDM1A (0.46) HTTL3MBTL1ALDH1A1TSHRHSD17B10
SCHEMBL29825639 0.86 KDM1A (0.46) HTTL3MBTL1ALDH1A1TSHRHSD17B10
SCHEMBL29956372 0.83 POLB (0.44) L3MBTL1POLBALDH1A1TSHRLMNA
SCHEMBL2802409 0.83 POLB (0.44) L3MBTL1POLBALDH1A1TSHRLMNA
SCHEMBL14217725 0.81 REN (0.38) ENPP2
SCHEMBL13554245 0.80 ENPP2 (0.33) HTTLPLLIPGENPP2
SCHEMBL29427154 0.79 ENPP2 (0.47) HTTLMNAENPP2
SCHEMBL22471 0.79 ENPP2 (0.47) HTTLMNAENPP2
SCHEMBL11894322 0.79 ALDH1A1 (0.41) HTTL3MBTL1POLBALDH1A1LMNA
SCHEMBL3784737 0.79 ALDH1A1 (0.59) L3MBTL1POLBALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-10668067-B2 Pyridine sulfonamides AMGEN INC. (US) 2020-06-02 US disclosed
US-20190167682-A1 PYRIDINE SULFONAMIDES AMGEN INC. (US) 2019-06-06 US disclosed
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-22 US disclosed
US-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-06-22 US disclosed
US-9376436-B2 2-(pyridin-2yl)-1, 7-diaza-spiro [4.4] nonane-6-one compound as voltage-gated sodium channels modulators Convergence Pharmaceuticals Limited (GB) 2016-06-28 US disclosed
EP-2794612-B1 2-(PYRIDIN-2YL)-1,7-DIAZA-SPIRO[4.4]NONANE-6-ONE COMPOUNDS AS VOLTAGE-GATED SODIUM CHANNELS MODULATORS CONVERGENCE PHARMACEUTICALS (GB) 2016-04-06 EP disclosed
WO-2015161142-A1 QUINOXALINE COMPOUNDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-10-22 WO disclosed
US-20150225400-A1 2 - (PYRIDIN- 2YL)- 1, 7 -DIAZA-SPIRO [4.4] NONANE- 6 -ONE COMPOUND AS VOLTAGE-GATED SODIUM CHANNELS MODULATORS Convergence Pharmaceuticals Limited (GB) 2015-08-13 US disclosed
EP-2718264-B1 BENZOCYCLOHEPTENE ACETIC ACIDS HOFFMANN LA ROCHE (CH) 2015-08-05 EP disclosed
EP-1856096-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS Bristol-Myers Squibb Company (US) 2007-11-21 EP disclosed
EP-1831217-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2007-09-12 EP disclosed
WO-2007002313-A2 PHENYLGLYCINAMIDE AND PYRIDYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 WO disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-04 US disclosed
WO-2006135993-A1 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR TREATING HEPATITIS C. GILEAD SCIENCES, INC. (US) 2006-12-28 WO disclosed
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 US disclosed
WO-2006076246-A2 PHENYLGLYCINAMIDE DERIVATIVES USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-07-20 WO disclosed
WO-2006069805-A2 PYRIDO(3,2-D)PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MEDICAL TREATMENT 4 AZA IP NV (BE) 2006-07-06 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-20170174704-A1 QUINOXALINE COMPOUNDS AND USES THEREOF NAMPT, NQO2, NNMT HTT 1352/4885L3MBTL1 2778/4885POLB 2436/4885
US-20150225400-A1 2 - (PYRIDIN- 2YL)- 1, 7 -DIAZA-SPIRO [4.4] NONANE- 6 -ONE COMPOUND AS VOLTAGE-GATED SODIUM CHANNELS MODULATORS SCN1A, SCN2A, SCN1B HTT 1837/4885L3MBTL1 4624/4885POLB 4603/4885
US-20070003539-A1 Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants F12, F11, F7 HTT 3772/4885L3MBTL1 2247/4885POLB 2996/4885
US-20190167682-A1 PYRIDINE SULFONAMIDES TRPV1, TRPA1, TRPV5 HTT 2233/4885L3MBTL1 4578/4885POLB 4819/4885
US-10668067-B2 Pyridine sulfonamides TRPV1, TRPA1, TRPV5 HTT 2233/4885L3MBTL1 4578/4885POLB 4819/4885
US-20060166997-A1 Phenylglycinamide derivatives useful as anticoagulants TFPI, SERPINC1, SERPINE1 HTT 2829/4885L3MBTL1 4173/4885POLB 4150/4885

“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.