SCHEMBL928840

SCHEMBL928840

CC(=O)Nc1cc2cc(Br)cc([N+](=O)[O-])c2oc1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.62
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
MAOA P21397 4/20 0.45
HSD17B10 Q99714 3/20 0.45
HPGD P15428 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP1A2 P05177 1/20 0.45
MAOB P27338 4/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
GALR2 O43603 1/20 0.41
MITF O75030 1/20 0.41
POLB P06746 1/20 0.41
HSP90AA1 P07900 1/20 0.41
XBP1 P17861 1/20 0.41
CCR6 P51684 1/20 0.41
GLA P06280 2/20 0.40
GAA P10253 2/20 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
SCHEMBL14278792 0.86 ALDH1A1 (0.46) GPR35ALDH1A1KDM4EMAOAHSD17B10
SCHEMBL1366199 0.78 GPR35 (0.82) GPR35ALDH1A1MAOAHPGDMAOB
SCHEMBL28582317 0.76 GPR35 (1.00) GPR35MAOAHSD17B10HPGDMAOB
SCHEMBL21200040 0.73 ERN1 (0.50) GPR35ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL7874830 0.72 CA12 (0.67) ALDH1A1KDM4EMAOAHSD17B10HPGD
SCHEMBL7881409 0.72 MAOA (0.51) ALDH1A1KDM4EMAOAHSD17B10HPGD
SCHEMBL5902062 0.72 GAA (0.50) GPR35ALDH1A1KDM4EHPGDLMNA
SCHEMBL1983840 0.72 GPR35 (0.68) GPR35
SCHEMBL28575714 0.71 GPR35 (1.00) GPR35ALDH1A1HPGDCYP1A2MAPT
SCHEMBL978546 0.71 MAPT (0.64) ALDH1A1KDM4ELMNAMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173660-B2 Process for the preparation of 3-amino-8-(1-piperazinyl)-2H-1-benzopyran-2-one and salts and solvates thereof SOLVAY PHARMACEUTICALS B.V. (NL) 2012-05-08 US disclosed
US-8173660-B2 Process for the preparation of 3-amino-8-(1-piperazinyl)-2H-1-benzopyran-2-one and salts and solvates thereof SOLVAY PHARMACEUTICALS B.V. (NL) 2012-05-08 US disclosed
US-8173660-B2 Process for the preparation of 3-amino-8-(1-piperazinyl)-2H-1-benzopyran-2-one and salts and solvates thereof SOLVAY PHARMACEUTICALS B.V. (NL) 2012-05-08 US disclosed
US-20110003830-A1 PROCESS FOR THE PREPARATION OF 3-AMINO-8-(1-PIPERAZINYL)-2H-1-BENZOPYRAN-2-ONE AND SALTS AND SOLVATES THEREOF SOLVAY PHARMACEUTICALS B.V. (NL) 2011-01-06 US disclosed
US-20110003830-A1 PROCESS FOR THE PREPARATION OF 3-AMINO-8-(1-PIPERAZINYL)-2H-1-BENZOPYRAN-2-ONE AND SALTS AND SOLVATES THEREOF SOLVAY PHARMACEUTICALS B.V. (NL) 2011-01-06 US disclosed
US-20110003830-A1 PROCESS FOR THE PREPARATION OF 3-AMINO-8-(1-PIPERAZINYL)-2H-1-BENZOPYRAN-2-ONE AND SALTS AND SOLVATES THEREOF SOLVAY PHARMACEUTICALS B.V. (NL) 2011-01-06 US disclosed
EP-1732558-B1 1-[2H-1-BENZOPYRAN-2-ONE-8-YL]- PIPERAZINE DERIVATIVES FOR THE TREATMENT OF PAIN ABBOTT HEALTHCARE PRODUCTS BV (NL) 2010-09-29 EP disclosed
EP-1781292-B1 EXTENDED RELEASE FORMULATION OF 3-AMINO-8-(1-PIPERAZINYL)-2H-1BENZOPYRAN-2-ONE ABBOTT HEALTHCARE PRODUCTS BV (NL) 2010-09-22 EP disclosed
EP-1781292-B1 EXTENDED RELEASE FORMULATION OF 3-AMINO-8-(1-PIPERAZINYL)-2H-1BENZOPYRAN-2-ONE ABBOTT HEALTHCARE PRODUCTS BV (NL) 2010-09-22 EP disclosed
US-7776860-B2 Process for the preparation of 3-amino-8-(1-piperazinyl)-2H-1-benzopyran-2-one and salts and solvates thereof SOLVAY PHARMACEUTICALS B.V. (NL) 2010-08-17 US disclosed
EP-1732557-A1 1-[2H-1-BENZOPYRAN-2-ONE-8-YL]-PIPERAZINE DERIVATIVES FOR THE TREATMENT OF MOVEMENT DISORDERS Solvay Pharmaceuticals B.V. (NL) 2006-12-20 EP disclosed
EP-1732558-A1 1-[2H-1-BENZOPYRAN-2-ONE-8-YL]- PIPERAZINE DERIVATIVES FOR THE TREATMENT OF PAIN Solvay Pharmaceuticals B.V. (NL) 2006-12-20 EP disclosed
WO-2006005760-A1 EXTENDED RELEASE FORMULATION OF 3-AMINO-8-(1-PIPERAZINYL)-2H-1BENZOPYRAN-2-ONE SOLVAY PHARMACEUTICALS B.V. (NL) 2006-01-19 WO disclosed
US-20060013874-A1 Extended release formulation of 3-amino-8-(1-piperazinyl)-2H-1-benzopyran-2-one SOLVAY PHARMACEUTICALS B.V. 2006-01-19 US disclosed
WO-2005092340-A1 1-[2H-1-BENZOPYRAN-2-ONE-8-YL]-PIPERAZINE DERIVATIVES FOR THE TREATMENT OF PAIN SOLVAY PHARMACEUTICALS B.V. (NL) 2005-10-06 WO disclosed
WO-2005092339-A1 1-[2H-1-BENZOPYRAN-2-ONE-8-YL]-PIPERAZINE DERIVATIVES FOR THE TREATMENT OF MOVEMENT DISORDERS SOLVAY PHARMACEUTICALS B.V. (NL) 2005-10-06 WO disclosed
WO-2005092338-A1 PROCESS FOR THE PREPARATION OF 3-AMINO-8-(1-PIPERAZINYL) -2H-1-BENZOPYRAN-2-ONE AND SALTS AND HYDRATES THEREOF SOLVAY PHARMACEUTICALS B.V. (NL) 2005-10-06 WO disclosed
US-20050215567-A1 1-[2H-1-benzopyran-2-one-8-yl]-piperazine derivatives for the treatment of pain SOLVAY PHARMACEUTICALS B.V. 2005-09-29 US disclosed
US-20050215551-A1 1-[2H-1-benzopyran-2-one-8-yl]- piperazine derivatives for the treatment of movement disorders SOLVAY PHARMACEUTICALS B.V. 2005-09-29 US disclosed
US-20050215566-A1 Process for the preparation of 3-amino-8-(1-piperazinyl)-2H-1-benzopyran-2-one and salts and solvates thereof SOLVAY PHARMACEUTICALS B.V. 2005-09-29 US 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-20050215551-A1 1-[2H-1-benzopyran-2-one-8-yl]- piperazine derivatives for the treatment of movement disorders HTR1A, HTR1D, HTR1E GPR35 68/4885ALDH1A1 279/4885KDM4E 2963/4885
US-20050215566-A1 Process for the preparation of 3-amino-8-(1-piperazinyl)-2H-1-benzopyran-2-one and salts and solvates thereof HTR1D, HTR1A, HTR1E GPR35 107/4885ALDH1A1 347/4885KDM4E 2865/4885
US-20050215567-A1 1-[2H-1-benzopyran-2-one-8-yl]-piperazine derivatives for the treatment of pain HTR1D, HTR1A, HTR5A GPR35 74/4885ALDH1A1 320/4885KDM4E 3193/4885
US-20060013874-A1 Extended release formulation of 3-amino-8-(1-piperazinyl)-2H-1-benzopyran-2-one SLC18A1, SLC18A2, SLC6A1 GPR35 680/4885ALDH1A1 378/4885KDM4E 2650/4885
US-20110003830-A1 PROCESS FOR THE PREPARATION OF 3-AMINO-8-(1-PIPERAZINYL)-2H-1-BENZOPYRAN-2-ONE AND SALTS AND SOLVATES THEREOF HTR1D, HTR1A, HTR1E GPR35 107/4885ALDH1A1 347/4885KDM4E 2865/4885

“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.