SCHEMBL6299478

SCHEMBL6299478

COc1ccc(C(=O)c2ccccc2)cc1C(=O)Nc1cc(I)cc2c1CCN(C)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ACHE P22303 1/20 0.41
ROCK2 O75116 3/20 0.41
CYP3A4 P08684 1/20 0.41
BRPF1 P55201 1/20 0.40
ABCB1 P08183 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 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
SCHEMBL8176744 0.89 MEN1 (0.48) MEN1KMT2ASMN1; SMN2USP2MAPK1
SCHEMBL8443321 0.86 SMN1; SMN2 (0.45) MEN1KMT2ASMN1; SMN2USP2MAPK1
SCHEMBL6294915 0.83 TP53 (0.45) KMT2ASMN1; SMN2ALDH1A1MAPTRAB9A
SCHEMBL8184217 0.81 MEN1 (0.47) MEN1KMT2ASMN1; SMN2USP2MAPK1
SCHEMBL8438675 0.76 MEN1 (0.42) MEN1KMT2ASMN1; SMN2USP2MAPK1
SCHEMBL8191550 0.76 MEN1 (0.46) MEN1KMT2ASMN1; SMN2USP2MAPK1
SCHEMBL8184650 0.76 MEN1 (0.46) MEN1KMT2ASMN1; SMN2USP2MAPK1
SCHEMBL8183651 0.75 MLYCD (0.46) MEN1KMT2ASMN1; SMN2USP2MAPK1
Hydrochloric Acid SCHEMBL8175562 0.75 MEN1 (0.45) MEN1KMT2ASMN1; SMN2USP2MAPK1
SCHEMBL8176139 0.74 ALDH1A1 (0.49) MEN1KMT2ASMN1; SMN2USP2MAPK1

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-6841560-B2 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2005-01-11 US claimed
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 claimed
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-08-23 US claimed
US-6841560-B2 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2005-01-11 US disclosed
CN-1183116-C Substituted isoquinoline derivatives, pharmaceutical composition containing same, preparation method and application thereof ʷ��˿�������ȳ�ķ���޹�˾ 2005-01-05 CN disclosed
US-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2004-10-21 US disclosed
EP-1042296-B1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2004-02-25 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-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-08-23 US disclosed
US-6248754-B1 PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM, P.L.C. (GB) 2001-06-19 US disclosed
EP-1042296-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-10-11 EP disclosed
US-6110934-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2000-08-29 US disclosed
CN-1255124-A Substituted isoquinoline derivatives and their use as anticonulsants SMITHKLINE BEECHAM PLC (GB) 2000-05-31 CN disclosed
EP-0968190-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-01-05 EP disclosed
EP-0968190-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-01-05 EP disclosed
WO-1999031068-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-06-24 WO disclosed
EP-0906283-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-04-07 EP disclosed
WO-1998041508-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS 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
WO-1997048683-A1 SUBSTITUTED BENZAMIDE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1997-12-24 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 (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-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A MEN1 3408/4885KMT2A 445/4885SMN1; SMN2 1323/4885
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A MEN1 3408/4885KMT2A 445/4885SMN1; SMN2 1323/4885
US-20030144320-A1 For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders PNMT, SLC6A2, GABBR1 MEN1 269/4885KMT2A 1389/4885SMN1; SMN2 1550/4885

“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.