Sugi Predict

Sugi Predict / Compounds / SCHEMBL2962443

SCHEMBL2962443

SCHEMBL2962443

O=[N+]([O-])c1cccc2c1OCCO2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.47
▸ CHRNB4 P30926 2/20 0.46
▸ CHRNA3 P32297 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ TXNRD1 Q16881 1/20 0.45
▸ TXNRD3 Q86VQ6 1/20 0.45
▸ TXNRD2 Q9NNW7 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ ERN1 O75460 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ITGB2 P05107 1/20 0.41
▸ ICAM1 P05362 1/20 0.41
▸ ITGAL P20701 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TSHR P16473 1/20 0.40

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
SCHEMBL3860202 0.91 MAPT (0.51) MAPTCHRNB4CHRNA3TDP1TXNRD1
SCHEMBL30379968 0.85 TXNRD1 (0.62) MAPTCHRNB4CHRNA3TDP1TXNRD1
SCHEMBL6257481 0.85 TXNRD1 (0.62) MAPTCHRNB4CHRNA3TDP1TXNRD1
SCHEMBL18936144 0.77 CHRNB4 (0.43) MAPTCHRNB4CHRNA3TDP1TXNRD1
SCHEMBL8948801 0.76 PARP1 (0.49) MAPTTDP1TXNRD1TXNRD3TXNRD2
SCHEMBL942246 0.76 TDP1 (0.44) MAPTTDP1ALDH1A1GPR35ERN1
SCHEMBL13015521 0.76 TXNRD1 (0.75) MAPTTXNRD1TXNRD3TXNRD2ALDH1A1
SCHEMBL8403306 0.75 TXNRD1 (0.50) MAPTTDP1TXNRD1TXNRD3TXNRD2
SCHEMBL22804232 0.75 TXNRD1 (0.50) MAPTTXNRD1TXNRD3TXNRD2ALDH1A1
SCHEMBL17099743 0.75 TXNRD1 (0.50) MAPTTDP1TXNRD1TXNRD3TXNRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108993555-B Preparation method of drug intermediate for rehabilitation of tardive dyskinesia 山东第一医科大学(山东省医学科学院) 2021-03-19 — — CN claimed
CN-108940377-A A kind of preparation method for treating dyskinesia pharmaceutical intermediate 泰山医学院 2018-12-07 — — CN claimed
CN-108993555-B Preparation method of drug intermediate for rehabilitation of tardive dyskinesia 山东第一医科大学(山东省医学科学院) 2021-03-19 — — CN disclosed
CN-108993555-B Preparation method of drug intermediate for rehabilitation of tardive dyskinesia 山东第一医科大学(山东省医学科学院) 2021-03-19 — — CN disclosed
CN-108940377-A A kind of preparation method for treating dyskinesia pharmaceutical intermediate 泰山医学院 2018-12-07 — — CN disclosed
EP-2661437-B1 2,4-DIAMINO-6,7-DIHYDRO-5H-PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS FAK/Pyk2 INHIBITORS CENTAURUS BIOPHARMA CO LTD (CN) 2018-11-07 — — EP disclosed
US-20170267677-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2017-09-21 — — US disclosed
US-9670207-B2 Substituted pyrazolo[1,5-a] pyridine as tropomyosin receptor kinase (Trk) inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2017-06-06 — — US disclosed
US-20160264572-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS DR. REDDY'S LABORATORIES LTD. (IN) 2016-09-15 — — US disclosed
US-9428508-B2 2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3]pyrimidine derivatives as FAK/Pyk2 inhibitors CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-08-30 — — US disclosed
US-9428508-B2 2,4-diamino-6,7-dihydro-5H-pyrrolo[2,3]pyrimidine derivatives as FAK/Pyk2 inhibitors CENTAURUS BIOPHARMA CO., LTD. (CN) 2016-08-30 — — US disclosed
US-20040181064-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-16 — — US disclosed
US-20040019063-A1 Bicyclic modulators of androgen receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-01-29 — — US disclosed
WO-2003096980-A2 BICYCLIC MODULATORS OF ANDROGEN RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-27 — — WO disclosed
US-6127357-A N-((phenyl, benzodioxinyl or N-heteroarylpiperazinyl)alkyl)-N-(N-heteroaryl)substituted carboxamides JOHN WYETH & BROTHER, LTD. (GB) 2000-10-03 — — US disclosed
EP-0625977-B1 PIPERAZINE DERIVATIVES AS 5-HT1A ANTAGONISTS WYETH JOHN & BROTHER LTD (GB) 1998-01-21 — — EP disclosed
US-5710149-A Piperazine derivatives as 5-ht antagonists JOHN WYETH & BROTHER, LTD. (GB) 1998-01-20 — — US disclosed
EP-0512755-B1 Piperazine derivatives WYETH JOHN & BROTHER LTD (GB) 1994-12-14 — — EP disclosed
EP-0512755-A2 Piperazine derivatives JOHN WYETH & BROTHER LIMITED (GB) 1992-11-11 — — EP disclosed
EP-0359290-A1 Aromatic diols GLAXO GROUP LIMITED (GB) 1990-03-21 — — EP 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 (4 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-20040019063-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA MAPT 3316/4885CHRNB4 1278/4885CHRNA3 882/4885
US-20160264572-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS MUSK, DMPK, PNCK MAPT 708/4885CHRNB4 1258/4885CHRNA3 652/4885
US-20040181064-A1 Bicyclic modulators of androgen receptor function AR, NR5A1, ESRRA MAPT 3480/4885CHRNB4 1261/4885CHRNA3 823/4885
US-20170267677-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS MUSK, DMPK, PNCK MAPT 708/4885CHRNB4 1258/4885CHRNA3 652/4885

“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.