SCHEMBL743219

SCHEMBL743219

COC(=O)c1cccc2[nH]cc(CC[N+](=O)[O-])c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.49
ALDH1A1 P00352 5/20 0.48
LMNA P02545 2/20 0.48
POLB P06746 1/20 0.48
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
NQO2 P16083 1/20 0.44
NPC1 O15118 1/20 0.44
CREBBP Q92793 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
HTR2A P28223 2/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL31332158 1.00 NR4A2 (0.49) NR4A2ALDH1A1LMNAPOLBMTNR1A
SCHEMBL27572643 0.85 CDK2 (0.47) ALDH1A1POLBMTNR1AMTNR1BKDM4E
SCHEMBL16687075 0.83 NR4A2 (0.55) NR4A2ALDH1A1LMNAPOLBMTNR1A
SCHEMBL8726228 0.82 HTR2A (0.60) NR4A2ALDH1A1LMNAMTNR1AMTNR1B
SCHEMBL16686899 0.82 NR4A2 (0.58) NR4A2ALDH1A1LMNAPOLBMTNR1A
SCHEMBL5647182 0.81 NR4A2 (0.47) NR4A2ALDH1A1LMNAPOLBMTNR1A
SCHEMBL30561932 0.81 ALDH1A1 (0.63) NR4A2ALDH1A1LMNAPOLBMTNR1A
SCHEMBL29264059 0.81 ALDH1A1 (0.63) NR4A2ALDH1A1LMNAPOLBMTNR1A
SCHEMBL5646963 0.80 HTR2A (0.59) NR4A2ALDH1A1LMNAPOLBMTNR1A
SCHEMBL13711921 0.80 HTR2A (0.64) MTNR1AMTNR1BNQO2MAPTHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295106-A1 ERGOLINE-LIKE COMPOUNDS FOR PROMOTING NEURAL PLASTICITY DELIX THERAPEUTICS, INC. 2023-09-21 US disclosed
US-20230295106-A1 ERGOLINE-LIKE COMPOUNDS FOR PROMOTING NEURAL PLASTICITY DELIX THERAPEUTICS, INC. 2023-09-21 US disclosed
WO-2021076572-A1 ERGOLINE-LIKE COMPOUNDS FOR PROMOTING NEURAL PLASTICITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-04-22 WO disclosed
US-8138333-B2 Sulfonyl-indole derivatives PROXIMAGEN LIMITED (GB) 2012-03-20 US disclosed
CN-101631787-A Tricyclic isoquinoline derivatives for the treatment of obesity BIOVITRUM AB PUBL 2010-01-20 CN disclosed
EP-2134714-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY Biovitrum AB (publ) (SE) 2009-12-23 EP disclosed
US-20080293694-A1 New compounds BIOVITRUM AB (PUBL.) (SE) 2008-11-27 US disclosed
US-7429578-B2 Tricyclic inhibitors of poly(ADP-ribose) polymerases AGOURON PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-7429578-B2 Tricyclic inhibitors of poly(ADP-ribose) polymerases AGOURON PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
US-7429578-B2 Tricyclic inhibitors of poly(ADP-ribose) polymerases AGOURON PHARMACEUTICALS, INC. (US) 2008-09-30 US disclosed
WO-2008110598-A1 TRICYCLIC ISOQUINOLINE DERIVATIVES FOR TREATMENT OF OBESITY BIOVITRUM AB (PUBL) (SE) 2008-09-18 WO disclosed
US-20060009517-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases AGOURON PHARMACEUTICALS, INC. 2006-01-12 US disclosed
US-6977298-B2 Tricyclic inhibitors of poly(ADP-ribose) polymerases Agouron Pharmacetucals, Inc. (US) 2005-12-20 US disclosed
US-20050085460-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases AGOURON PHARMACEUTICALS, INC. 2005-04-21 US disclosed
EP-1140936-B1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMA (US) 2004-03-17 EP disclosed
US-20030078254-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases WEBBER STEPHEN EVAN (US) 2003-04-24 US disclosed
US-6495541-B1 POTENTIATION OF ANTICANCER THERAPIES AND INHIBITION OF NEUROTOXICITY CONSEQUENT TO STROKE, HEAD TRAUMA, AND NEURO-DEGENERATIVE DISEASES; SUCH AS 2-BROMO-3,4-DIHYDROPYRROLO-(4,3,2-DE)ISOGUINOLIN-5-ONE AGOURON PHARMACEUTICALS, INC. 2002-12-17 US disclosed
EP-1140936-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2001-10-10 EP disclosed
WO-2000042040-A1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE) POLYMERASES AGOURON PHARMACEUTICALS, INC. (US) 2000-07-20 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 (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-20230295106-A1 ERGOLINE-LIKE COMPOUNDS FOR PROMOTING NEURAL PLASTICITY GRIN1, GRIN2A, GRIN3B NR4A2 345/4885ALDH1A1 2612/4885LMNA 2367/4885
US-20060009517-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases PARP1, PARP2, PARP11 NR4A2 4307/4885ALDH1A1 901/4885LMNA 636/4885
US-20050085460-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases PARP1, PARP2, PARP11 NR4A2 4307/4885ALDH1A1 901/4885LMNA 636/4885
US-20080293694-A1 New compounds HTR6, HTR1A, HTR1B NR4A2 637/4885ALDH1A1 901/4885LMNA 3634/4885
US-20030078254-A1 Tricyclic inhibitors of poly(ADP-ribose) polymerases PARP1, PARP11, PARP2 NR4A2 4257/4885ALDH1A1 608/4885LMNA 687/4885

“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.