SCHEMBL6590934

SCHEMBL6590934

Cc1oc2c(N)cccc2c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.46
TSHR P16473 3/20 0.46
PIK3CA P42336 1/20 0.46
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
HPGD P15428 2/20 0.42
ELANE P08246 1/20 0.40
MCL1 Q07820 1/20 0.37
KEAP1 Q14145 1/20 0.37
CD44 P16070 1/20 0.37
PSMB8 P28062 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH2 P05091 1/20 0.35
CDK9 P50750 1/20 0.35
DYRK1A Q13627 1/20 0.35
DYRK2 Q92630 1/20 0.35
NR4A2 P43354 1/20 0.34
PARP1 P09874 2/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL7829502 0.80 ALDH1A1 (0.39) CYP3A4TSHRPIK3CAALDH1A1HSD17B10
SCHEMBL23261662 0.79 AHR (0.47) ALDH1A1TDP1HPGDNR4A2RAB9A
SCHEMBL15046889 0.78 MCL1 (0.56) TSHRALDH1A1HSD17B10ELANEMCL1
SCHEMBL7815658 0.77 CYP3A4 (0.40) CYP3A4TSHRPIK3CAALDH1A1HSD17B10
SCHEMBL24254913 0.77 ALDH1A1 (0.55) CYP3A4TSHRPIK3CAALDH1A1HSD17B10
SCHEMBL23938618 0.76 CYP3A4 (0.35) CYP3A4TSHRPIK3CAALDH1A1HSD17B10
SCHEMBL7826135 0.76 ALDH1A1 (0.35) CYP3A4TSHRPIK3CAALDH1A1HSD17B10
SCHEMBL6454090 0.75 MAOA (0.46) TSHRHSD17B10TDP1HPGDMCL1
SCHEMBL8038421 0.75 LOXL2 (0.40) TSHRALDH1A1HSD17B10HPGDMCL1
SCHEMBL7828174 0.74 CYP3A4 (0.34) CYP3A4TSHRPIK3CAALDH1A1HSD17B10

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1293075-C Indole and 2,3-indoline derivative, their preparation and application LUNDBECK & CO AS H (DK) 2007-01-03 CN disclosed
CN-1286833-C Indole and 2,3-indoline derivative, their preparation and application LUNDBECK & CO AS H (DK) 2006-11-29 CN disclosed
EP-1007523-B9 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2004-09-08 EP disclosed
CN-1515568-A Indole and 2,3-indoline derivative, their preparation and application H.隆德贝克有限公司 2004-07-28 CN disclosed
CN-1515569-A Indole and 2,3-indoline derivative, their preparation and application H.隆德贝克有限公司 2004-07-28 CN disclosed
US-6727263-B2 SEROTONINE REUPTAKE INHIBITOR; ANTIDEPRESSANTS; SIDE EFFECT REDUCTION H. LUNDBECK A/S (DK) 2004-04-27 US disclosed
CN-1127501-C indole and 2, 3-indoline derivatives, their preparation and use LUNDBECK & CO AS H (DK) 2003-11-12 CN disclosed
EP-1007523-B1 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2003-10-22 EP disclosed
CN-1414963-A novel heteroaryl derivatives, their preparation and use LUNDBECK & CO AS H (DK) 2003-04-30 CN disclosed
US-20030050306-A1 Novel heteroaryl derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-03-13 US disclosed
US-6476035-B1 Indole and 2,3-dihydroindole derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-11-05 US disclosed
EP-1246820-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2002-10-09 EP disclosed
WO-2001049683-A1 NOVEL HETEROARYL DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2001-07-12 WO disclosed
EP-0757682-B1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO (JP) 2001-06-20 EP disclosed
CN-1265107-A indole and 2, 3-indoline derivatives, their preparation and use LUNDBECK & CO AS H (DK) 2000-08-30 CN disclosed
EP-1007523-A1 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 2000-06-14 EP disclosed
WO-1999005140-A1 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE H. LUNDBECK A/S (DK) 1999-02-04 WO disclosed
US-5858995-A ADMINISTERING TO HUMANS AND ANIMALS IN THE TREATMENT OF DISEASES CAUSED BY ABNORMAL BONE METABOLISM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-01-12 US disclosed
EP-0757682-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029907-A1 BENZOFURAN DERIVATIVES USEFUL AS INHIBITORS OF BONE RESORPTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-09 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 (1 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-20030050306-A1 Novel heteroaryl derivatives, their preparation and use CRBN, CDR2, DRD3 CYP3A4 913/4885TSHR 137/4885PIK3CA 4673/4885

“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.