SCHEMBL3481205

SCHEMBL3481205

CCOC(=O)c1cccc([N+](=O)[O-])c1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.64
SMN1; SMN2 Q16637 5/20 0.58
ALDH1A1 P00352 8/20 0.58
GAA P10253 2/20 0.56
TDP1 Q9NUW8 2/20 0.55
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 5/20 0.53
GLA P06280 1/20 0.52
KMT2A Q03164 2/20 0.52
GALR2 O43603 1/20 0.51
MITF O75030 1/20 0.51
POLB P06746 1/20 0.51
HSP90AA1 P07900 1/20 0.51
HPGD P15428 1/20 0.51
XBP1 P17861 1/20 0.51
CCR6 P51684 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NPC1 O15118 1/20 0.51

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
SCHEMBL28462329 0.87 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1TDP1LMNA
SCHEMBL1523174 0.87 ALDH1A1 (0.67) TSHRSMN1; SMN2ALDH1A1GAALMNA
SCHEMBL5427764 0.87 ALDH1A1 (0.53) TSHRSMN1; SMN2ALDH1A1GAATDP1
SCHEMBL11464655 0.86 ALDH1A1 (0.57) TSHRSMN1; SMN2ALDH1A1GAATDP1
SCHEMBL1611630 0.86 ALDH1A1 (0.55) TSHRSMN1; SMN2ALDH1A1GAALMNA
SCHEMBL11761872 0.85 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1GAATDP1
SCHEMBL11615408 0.85 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1GAATDP1
SCHEMBL11766460 0.85 TSHR (0.57) TSHRSMN1; SMN2ALDH1A1GAATDP1
SCHEMBL307312 0.85 TSHR (0.70) TSHRSMN1; SMN2ALDH1A1GAATDP1
SCHEMBL29959661 0.85 TSHR (0.70) TSHRSMN1; SMN2ALDH1A1GAATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215074-B1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES US HEALTH (US) 2014-02-19 EP disclosed
EP-2215074-B1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES US HEALTH (US) 2014-02-19 EP disclosed
EP-2573080-A1 Isoindoline compounds for the treatment of spinal muscular atrophy and other uses The United States of America, as Represented by the Secretary, Department of Health and Human Services (US) 2013-03-27 EP disclosed
EP-2573080-A1 Isoindoline compounds for the treatment of spinal muscular atrophy and other uses The United States of America, as Represented by the Secretary, Department of Health and Human Services (US) 2013-03-27 EP disclosed
US-20100267712-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES The United States of America, as represented by the Secretary, Department of Health and 2010-10-21 US disclosed
US-20100267712-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES The United States of America, as represented by the Secretary, Department of Health and 2010-10-21 US disclosed
US-20100267712-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES The United States of America, as represented by the Secretary, Department of Health and 2010-10-21 US disclosed
EP-2215074-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES The United States of America, as Represented by the Secretary, Department of Health and Human Services (US) 2010-08-11 EP disclosed
WO-2009042907-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-04-02 WO disclosed
WO-2009042907-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2009-04-02 WO disclosed
EP-1603884-A4 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC (US) 2008-05-28 EP disclosed
US-7320989-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-01-22 US disclosed
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. 2008-01-03 US disclosed
US-7265122-B2 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS, INC. (US) 2007-09-04 US disclosed
EP-1603884-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-14 EP disclosed
US-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2005-03-10 US disclosed
US-20040186102-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists ENCYSIVE PHARMACEUTICALS INC. 2004-09-23 US disclosed
WO-2004078114-A2 PYRIDINE, PYRIMIDINE, QUINOLINE, QUINAZOLINE, AND NAPHTHALENE UROTENSIN-II RECEPTOR ANTAGONISTS. ENCYSIVE PHARMACEUTICALS INC. (US) 2004-09-16 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 (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-20050054850-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 TSHR 1103/4885SMN1; SMN2 3030/4885ALDH1A1 3771/4885
US-20100267712-A1 ISOINDOLINE COMPOUNDS FOR THE TREATMENT OF SPINAL MUSCULAR ATROPHY AND OTHER USES SMN1; SMN2, SYNCRIP, RNMT TSHR 3306/4885SMN1; SMN2 1/4885ALDH1A1 1280/4885
US-20080004312-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 TSHR 1103/4885SMN1; SMN2 3030/4885ALDH1A1 3771/4885
US-20040186102-A1 Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists UTS2R, GPR17, NTSR2 TSHR 1103/4885SMN1; SMN2 3030/4885ALDH1A1 3771/4885

“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.