SCHEMBL6294891

SCHEMBL6294891

CCOc1ccc(C(=O)Nc2ccc3c(c2)CN(CC)CC3)cc1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
HSD17B10 Q99714 2/20 0.61
ALOX15 P16050 1/20 0.61
ALOX12 P18054 1/20 0.61
NR4A1 P22736 1/20 0.61
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
TP53 P04637 4/20 0.57
L3MBTL3 Q96JM7 2/20 0.56
KDM4E B2RXH2 2/20 0.52
HTT P42858 1/20 0.52
NPC1 O15118 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.52
TNF P01375 1/20 0.49
RAB9A P51151 1/20 0.49
NOD2 Q9HC29 1/20 0.49
NOD1 Q9Y239 1/20 0.49
ABCB1 P08183 3/20 0.48

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
SCHEMBL6294927 0.92 MAPT (0.61) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL6295123 0.92 MAPT (0.60) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL6293914 0.90 MAPT (0.68) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL6293573 0.87 MAPT (0.59) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL7792020 0.86 MAPT (0.66) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL6295122 0.86 MAPT (0.58) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL6298346 0.82 MAPT (0.58) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
SCHEMBL6371565 0.81 MEN1 (0.54) MAPTSMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL7657907 0.80 MAPT (0.63) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12
Hydrochloric Acid SCHEMBL8111650 0.80 MAPT (0.49) MAPTSMN1; SMN2HSD17B10ALOX15ALOX12

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 12 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
CN-1183116-C Substituted isoquinoline derivatives, pharmaceutical composition containing same, preparation method and application thereof ʷ��˿�������ȳ�ķ���޹�˾ 2005-01-05 CN 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
EP-0968190-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-01-05 EP claimed
WO-1998041508-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1998-09-24 WO 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
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
EP-0968190-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-01-05 EP 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 (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 MAPT 353/4885SMN1; SMN2 1323/4885HSD17B10 1492/4885
US-20010016657-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A MAPT 353/4885SMN1; SMN2 1323/4885HSD17B10 1492/4885
US-20030144320-A1 For treatment and/or prevention of anxiety, mania, depression, panic disorders, nerve sustem disorders PNMT, SLC6A2, GABBR1 MAPT 1087/4885SMN1; SMN2 1550/4885HSD17B10 1771/4885

“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.