SCHEMBL6299608

SCHEMBL6299608

CCOc1cc(OC)c(C(=O)O)cc1S(C)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TSHR P16473 3/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 4/20 0.43
RCE1 Q9Y256 1/20 0.43
HPGD P15428 2/20 0.43
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TNFRSF1A P19438 1/20 0.40
MAPK1 P28482 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL8077494 0.93 KDM4E (0.47) KDM4ENPSR1TSHRHSD17B10ALDH1A1
SCHEMBL7797968 0.88 KDM4E (0.65) KDM4ENPSR1HSD17B10ALDH1A1HPGD
SCHEMBL6298396 0.87 KDM4E (0.51) KDM4ENPSR1TSHRHSD17B10ALDH1A1
SCHEMBL1547213 0.81 KDM4E (0.51) KDM4ENPSR1TSHRHSD17B10ALDH1A1
SCHEMBL18309198 0.81 TSHR (0.66) KDM4ETSHRHSD17B10ALDH1A1RCE1
SCHEMBL7797982 0.81 TSHR (0.50) KDM4ENPSR1TSHRHSD17B10ALDH1A1
SCHEMBL1546532 0.79 TSHR (0.49) TSHRHSD17B10CYP3A4SMN1; SMN2LMNA
SCHEMBL6298412 0.79 KDM4E (0.55) KDM4ENPSR1TSHRHSD17B10ALDH1A1
SCHEMBL7801323 0.78 KDM4E (0.54) KDM4ENPSR1TSHRHSD17B10ALDH1A1
SCHEMBL10721823 0.78 LCK (0.59) KDM4ENPSR1TSHRHSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6841560-B2 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2005-01-11 US disclosed
US-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2004-10-21 US disclosed
US-6762192-B2 USEFUL IN THERAPY AND PROPHYLAXIS OF EPILEPSY, MIGRAINE, AND OTHER DISORDERS SMITHKLINE BEECHUM P.L.C. (GB) 2004-07-13 US disclosed
EP-1084122-B1 TETRAHYDRONAPHTHYRIDINYL-CARBOXAMIDES HAVING ANTI-CONVULSANT ACTIVITY SMITHKLINE BEECHAM PLC (GB) 2003-10-22 EP disclosed
US-20030144320-A1 For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders SMITHKLINE BEECHAM P.L.C. 2003-07-31 US disclosed
US-6492378-B1 Substituted isoquinoline derivatives and their use as anticonvulsivants SMITHKLINE BEECHAM P.L.C. (GB) 2002-12-10 US disclosed
US-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity SMITHKLINE BEECHAM P.L.C. 2002-10-03 US disclosed
US-6410555-B1 ANTIEPILEPTIC AGENTS; HEADACHES SMITHKLINE BEECHAM P.L.C. (GB) 2002-06-25 US disclosed
US-20010025045-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-09-27 US disclosed
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-08-23 US disclosed
US-6277861-B1 FOR TREATMENT AND PROPHYLAXIS OF NERVOUS SYSTEM DISORDERS, PSYCHOLOGICAL DISORDERS, MUSCULAR DISORDERS, DRUG ADDICTION WITHDRAWAL, PAIN SMITHKLINE BEECHAM, P.L.C. (GB) 2001-08-21 US disclosed
EP-1104404-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2001-06-06 EP disclosed
WO-2000009486-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSIVANTS SMITHKLINE BEECHAM P.L.C. (GB) 2000-02-24 WO disclosed
EP-0971897-A1 ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 2000-01-19 EP disclosed
EP-0968190-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-01-05 EP disclosed
WO-1998041507-A1 ANTI-CONVULSANT ISOQUINOLYL-BENZAMIDE DERIVATIVES SMITHKLINE BEECHAM PLC (GB) 1998-09-24 WO disclosed
WO-1998041508-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-09-24 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-20020143029-A1 Tetrahydronaphthyridinyl-carboxamides having anti-convulsant activity CNR1, SCN1B, CNR2 KDM4E 3088/4885NPSR1 192/4885TSHR 471/4885
US-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A KDM4E 910/4885NPSR1 532/4885TSHR 4289/4885
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A KDM4E 910/4885NPSR1 532/4885TSHR 4289/4885
US-20030144320-A1 For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders PNMT, SLC6A2, GABBR1 KDM4E 2455/4885NPSR1 131/4885TSHR 942/4885
US-20010025045-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A KDM4E 910/4885NPSR1 532/4885TSHR 4289/4885

“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.