SCHEMBL3842471

SCHEMBL3842471

CC(=O)Oc1cccc([N+](=O)[O-])c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.58
TSHR P16473 3/20 0.54
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 2/20 0.53
ACHE P22303 1/20 0.53
LMNA P02545 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTT P42858 1/20 0.44
GPR35 Q9HC97 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CCR6 P51684 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL23421580 0.85 TDP1 (0.56) TDP1TSHRALDH1A1SMN1; SMN2GAA
SCHEMBL471777 0.84 ALDH1A1 (0.61) TDP1TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL30520310 0.84 ALDH1A1 (0.61) TDP1TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL17005575 0.83 TSHR (0.51) TDP1TSHRALDH1A1SMN1; SMN2GAA
SCHEMBL27372762 0.83 ALDH1A1 (0.59) TDP1TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL25329772 0.83 ALDH1A1 (0.59) TDP1TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL10499773 0.82 ALDH1A1 (0.46) TDP1TSHRALDH1A1SMN1; SMN2GAA
SCHEMBL25331485 0.82 TSHR (0.50) TDP1TSHRALDH1A1SMN1; SMN2GAA
SCHEMBL29229957 0.80 TDP1 (0.69) TDP1TSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL23420829 0.80 TDP1 (0.50) TDP1TSHRALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619095-B2 Process for the preparation of indolone derivative ALEMBIC LIMITED (IN) 2009-11-17 US claimed
EP-1848691-B1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE ALEMBIC LTD (IN) 2009-11-11 EP claimed
US-20080262244-A1 Process for the Preparation of Indolone Derivative ALEMBIC LIMITED (IN) 2008-10-23 US claimed
EP-1848691-A1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE Alembic Limited (IN) 2007-10-31 EP claimed
WO-2006123356-A1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE ALEMBIC LIMITED (IN) 2006-11-23 WO claimed
US-7619095-B2 Process for the preparation of indolone derivative ALEMBIC LIMITED (IN) 2009-11-17 US disclosed
EP-1848691-B1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE ALEMBIC LTD (IN) 2009-11-11 EP disclosed
EP-1706113-B1 A PROCESS FOR THE PREPARATION OF 4-(2-DIPROPYLAMINOETHYL)-1,3-DIHYDRO-2H-INDOL-2-ONE HYDROCHLORIDE USV LTD (IN) 2008-12-10 EP disclosed
US-20080262244-A1 Process for the Preparation of Indolone Derivative ALEMBIC LIMITED (IN) 2008-10-23 US disclosed
US-7378439-B2 Process for the preparation of 4-(2-dipropylaminoethyl)-1,3-dihydro-2H-indol-2-one hydrochloride USV, LTD. (IN) 2008-05-27 US disclosed
EP-1848691-A1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE Alembic Limited (IN) 2007-10-31 EP disclosed
CN-1968952-A New indazole and indolone derivatives and their use pharmaceuticals PFIZER (US) 2007-05-23 CN disclosed
WO-2006123356-A1 PROCESS FOR THE PREPARATION OF INDOLONE DERIVATIVE ALEMBIC LIMITED (IN) 2006-11-23 WO disclosed
EP-1706113-A1 A PROCESS FOR THE PREPARATION OF 4-(2-DIPROPYLAMINOETHYL)-1,3-DIHYDRO-2H-INDOL-2-ONE HYDROCHLORIDE USV Limited (IN) 2006-10-04 EP disclosed
CN-1264838-C Indole derivatives for treating central nervous system disease LUNDBECK & CO AS H (DK) 2006-07-19 CN disclosed
US-20050192338-A1 Process for the preparation of Ropinirole CF PHARMA GYOGYSZERGYARTO KFT. (HU) 2005-09-01 US disclosed
EP-1568689-A1 Process for the preparation of the 2-oxoindole derivative, Ropinirole Helm AG (DE) 2005-08-31 EP disclosed
WO-2005067922-A1 A PROCESS FOR THE PREPARATION OF 4-(2-DIPROPYLAMINOETHYL)-1,3-DIHYDRO-2H-INDOL-2-ONE HYDROCHLORIDE USV LIMITED (IN) 2005-07-28 WO disclosed
US-20050159605-A1 Process for the preparation of 4-(2-dipropylaminoethyl)-1,3-dihydro-2H-indol-2-one hydrochloride USV LIMITED (IN) 2005-07-21 US disclosed
CN-1451002-A Indole derivatives for treating central nervous system disease LUNDBECK & CO AS H (DK) 2003-10-22 CN 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 (3 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-20050159605-A1 Process for the preparation of 4-(2-dipropylaminoethyl)-1,3-dihydro-2H-indol-2-one hydrochloride PARK7, SNCA, TPH1 TDP1 191/4885TSHR 1729/4885ALDH1A1 351/4885
US-20080262244-A1 Process for the Preparation of Indolone Derivative HTR3C, HTR3B, HTR1B TDP1 1934/4885TSHR 443/4885ALDH1A1 786/4885
US-20050192338-A1 Process for the preparation of Ropinirole PRLHR, ADCYAP1R1, QDPR TDP1 1853/4885TSHR 280/4885ALDH1A1 1633/4885

“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.