SCHEMBL2646463

SCHEMBL2646463

CC(=O)c1cccc(N)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 2/20 0.41
MAPT P10636 3/20 0.40
POLB P06746 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
RAB9A P51151 2/20 0.39
MAPK1 P28482 1/20 0.39
MMP2 P08253 1/20 0.39
HPGD P15428 1/20 0.38
GPR35 Q9HC97 1/20 0.38
CFTR P13569 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSD P07339 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL11786253 0.85 GAA (0.41) ALDH1A1TDP1TSHRMAPTPOLB
SCHEMBL8576744 0.85 MMP2 (0.55) ALDH1A1TDP1TSHRMAPTMEN1
SCHEMBL91305 0.85 MMP2 (0.55) ALDH1A1TDP1TSHRMAPTMEN1
SCHEMBL30682787 0.84 TSHR (0.43) ALDH1A1TDP1TSHRMAPTPOLB
SCHEMBL3295168 0.84 TSHR (0.43) ALDH1A1TDP1TSHRMAPTPOLB
SCHEMBL27746873 0.83 ALDH1A1 (0.61) ALDH1A1TDP1TSHRMAPTPOLB
SCHEMBL9747124 0.82 ALDH1A1 (0.41) ALDH1A1TDP1TSHRMAPTMEN1
SCHEMBL4734285 0.81 TSHR (0.56) ALDH1A1TDP1TSHRMAPTL3MBTL1
SCHEMBL4469803 0.80 GPR35 (0.56) ALDH1A1TDP1TSHRMAPTPOLB
SCHEMBL2572950 0.80 ALDH1A1 (0.64) ALDH1A1TDP1TSHRMAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090074791-A1 Phenylisoquinoline and Phenylquinazoline Derivatives BEERLI RENE 2009-03-19 US disclosed
US-20090074791-A1 Phenylisoquinoline and Phenylquinazoline Derivatives BEERLI RENE 2009-03-19 US disclosed
WO-2009027475-A1 PHENYLISOQUINOLINE AND PHENYLQUINAZOLINE DERIVATIVES FOR THE TREATMENT OF BONE DISEASES NOVARTIS AG (CH) 2009-03-05 WO disclosed
EP-0616807-B1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH AS (DK) 1998-07-08 EP disclosed
US-5554632-A CENTRAL NERVOUS SYSTEM NEUROSEARCH A/S (DK) 1996-09-10 US disclosed
US-5554630-A TREATING ANXIETY, CONVULSIONS AND SLEEP DISORDERS IN LIVING ANIMALS BY MODULATION OF THE BENZODIAZEPINE RECEPTOR OF THE CENTRAL NERVOUS SYSTEM WITH 1-/3-HETEROCYCLYLPHENYL/-BENZIMIDAZOLES NEUROSEARCH A/S (DK) 1996-09-10 US disclosed
EP-0616807-A1 Benzimidazole useful in the treatment of central nervous system disorders NEUROSEARCH A/S (DK) 1994-09-28 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 (1 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-20090074791-A1 Phenylisoquinoline and Phenylquinazoline Derivatives CAMK1D, CAMK1, PHPT1 ALDH1A1 4385/4885TDP1 3021/4885TSHR 3670/4885

“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.