SCHEMBL87682

SCHEMBL87682

O=C(Cl)c1coc2ccccc12

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 17/20 0.58
ADORA2B P29275 2/20 0.49
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
IDO1 P14902 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MAOA P21397 4/20 0.45

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
SCHEMBL9029206 0.87 MAOB (0.72) MAOBADORA2BMAOA
SCHEMBL7383281 0.86 MAOB (0.56) MAOBADORA2BNPC1MAPTRAB9A
SCHEMBL8761733 0.83 MAOB (0.61) MAOBADORA2BNPC1MAPTRAB9A
SCHEMBL70456 0.82 MAOB (0.76) MAOBADORA2BNPC1MAPTRAB9A
SCHEMBL13655497 0.80 MAOB (0.62) MAOBADORA2BNPC1MAPTRAB9A
SCHEMBL27822584 0.80 MAOB (0.73) MAOBADORA2BNPC1MAPTRAB9A
SCHEMBL2301535 0.80 MAOB (0.58) MAOBADORA2BNPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL87683 0.80 MAOB (0.73) MAOBADORA2BNPC1MAPTRAB9A
SCHEMBL1299217 0.80 MAOB (0.58) MAOBADORA2BNPC1MAPTRAB9A
SCHEMBL28183980 0.78 MAOB (0.51) MAOBADORA2BNPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3112348-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2017-01-04 EP disclosed
EP-3112348-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Tairx, Inc. (TW) 2017-01-04 EP disclosed
EP-2593435-B1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES TAIRX INC (TW) 2016-09-07 EP disclosed
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US disclosed
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US disclosed
US-8524740-B2 Synthesis and anticancer activity of aryl and heteroaryl-quinolin derivatives TAIRX, INC. (TW) 2013-09-03 US disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES Efficient Pharma Management Corporate (TW) 2012-01-19 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 EP disclosed
US-6323217-B2 CARDIOVASCULAR DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-27 US disclosed
US-20010034352-A1 Piperidine-4 sulphonamide compounds LES LABORATOIRES SERVIER (FR) 2001-10-25 US disclosed
US-5972964-A FOR TREATMENT OF CERTAIN PSYCHIC AND NEUROLOGIC DISORDERS SUCH AS PSYCHOSIS, ANXIETY DISORDERS, PANIC DISORDER, OBSESSIVE COMPULSIVE DISORDER, DEPRESSION, IMPULSE CONTROL DISORDERS, ALCOHOL ABUSE, AGGRESSION H. LUNDBECK A/S (DK) 1999-10-26 US disclosed
US-5807889-A PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS H. LUNDBECK A/S (DK) 1998-09-15 US disclosed
EP-0673360-B1 AMINOMETHYLINDANS, -BENZOFURANES AND -BENZOTHIOPHENES LUNDBECK & CO AS H (DK) 1998-08-26 EP disclosed
EP-0673360-A1 AMINOMETHYLINDANS, -BENZOFURANES AND -BENZOTHIOPHENES H. LUNDBECK A/S (DK) 1995-09-27 EP disclosed
WO-1994013620-A1 AMINOMETHYLINDANS, -BENZOFURANES AND -BENZOTHIOPHENES H. LUNDBECK A/S (DK) 1994-06-23 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-20010034352-A1 Piperidine-4 sulphonamide compounds KDR, GLS, FLT1 MAOB 1601/4885ADORA2B 238/4885NPC1 1827/4885
US-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAOB 2184/4885ADORA2B 1052/4885NPC1 680/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 MAOB 2935/4885ADORA2B 1432/4885NPC1 551/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 MAOB 3331/4885ADORA2B 1371/4885NPC1 624/4885
US-20120015908-A1 SYNTHESIS AND ANTICANCER ACTIVITY OF ARYL AND HETEROARYL-QUINOLIN DERIVATIVES SLC22A8, ABCC8, CYP2C8 MAOB 1858/4885ADORA2B 3865/4885NPC1 874/4885

“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.