SCHEMBL542790

SCHEMBL542790

[c]1[nH]c2ccccc2c1-c1cc2ccccc2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAOB P27338 5/20 0.41
MAOA P21397 3/20 0.41
ADRA2A P08913 2/20 0.41
METAP2 P50579 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40

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
SCHEMBL4508938 0.80 MAOB (0.59) NPC1RAB9AMAOBMAOAKDM4E
SCHEMBL103158 0.75 MAOB (0.63) NPC1RAB9AMAOBMAOAADRA2A
SCHEMBL30036439 0.75 MAOB (0.63) NPC1RAB9AMAOBMAOAADRA2A
SCHEMBL1018789 0.72 ALOX5 (0.46) NPC1RAB9AMAOBMAOAADRA2A
SCHEMBL2150499 0.71 MAOB (0.59) NPC1RAB9AMAOBMAOAADRA2A
SCHEMBL9537233 0.71 ALOX5 (0.45) NPC1RAB9AMAOBMAOAADRA2A
SCHEMBL1257288 0.70 RAB9A (0.52) NPC1RAB9AKDM4EALDH1A1CYP1A2
SCHEMBL3071818 0.70 CTSV (0.44) NPC1RAB9ATUBB4ATUBBTUBA3C
Carbazole SCHEMBL29214629 0.70 MAOB (0.54) NPC1RAB9AMAOBMAOAADRA2A
SCHEMBL2149640 0.69 MAOB (0.57) NPC1RAB9AMAOBMAOAADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336131-A1 Hydantoin compounds Eisai R&D Management Co., Ltd. (JP) 2011-06-22 EP claimed
EP-2522394-A2 Substituted phosphonates and their use decreasing amyloid aggregates QUEEN MARY & WESTFIELD COLLEGE (GB) 2012-11-14 EP disclosed
US-8110598-B2 (+-) Ethyl 3-{4-[2-(pyrrol-1-yl)ethoxy]phenyl}-2-ethoxypropanoate; hyperlipidaemia, hypercholesteremia, hyperglycemia, obesity, impaired glucose intolerance, leptin resistance, insulin resistance, reducing plasma glucose, triglycerides, total cholesterol, LDL, VLDL or free fatty acids in the plasma CADILA HEALTHCARE LIMITED (IN) 2012-02-07 US disclosed
US-20110280890-A1 PRODRUGS OF CC-1065 ANALOGS IMMUNOGEN, INC. (US) 2011-11-17 US disclosed
US-8012978-B2 Prodrugs of CC-A1065 analogs IMMUNOGEN, INC. (US) 2011-09-06 US disclosed
US-7906545-B2 Prodrugs of CC-1065 analogs IMMUNOGEN INC. (US) 2011-03-15 US disclosed
US-20110008373-A1 PRODRUGS OF CC-1065 ANALOGS IMMUNOGEN, INC. (US) 2011-01-13 US disclosed
EP-2238988-A1 Conjugated prodrugs of cc-1065 analogs ImmunoGen, Inc. (US) 2010-10-13 EP disclosed
EP-1492526-B1 CONJUGATED PRODRUGS OF CC-1065 ANALOGS IMMUNOGEN INC (US) 2010-06-16 EP disclosed
US-7655661-B2 Prodrugs of CC-1065 analogs IMMUNOGEN INC. (US) 2010-02-02 US disclosed
US-6756397-B2 SUCH AS (S)-N-(2-((1-CHLOROMETHYL)-1,2-DIHYDRO-5-((4-METHYLPIPERAZINO)CARBONYLOXY) -3H-BENZ(E) INDOL-3-YL)CARBONYL)-1H-INDOL-5-YL)-5-((3-METHYLDITHIO-1-OXOPROPYL)-AMINO) -1H-INDOLE-2-CARBOXAMIDE; ENHANCED WATER SOLUBILITY AND STABILITY IMMUNOGEN, INC. 2004-06-29 US disclosed
US-20040109867-A1 Prodrugs of CC-1065 analogs IMMUNOGEN INC. 2004-06-10 US disclosed
WO-2003086318-A2 IMPROVED PRODRUGS OF CC-1065 ANALOGS IMMUNOGEN, INC. (US) 2003-10-23 WO disclosed
US-20030199519-A1 Prodrugs of CC-1065 analogs IMMUNOGEN INC. 2003-10-23 US disclosed
EP-0563475-B1 Cell binding agent conjugates of derivatives of CC-1065 IMMUNOGEN INC (US) 2000-05-31 EP disclosed
US-5846545-A Targeted delivery of cyclopropylbenzindole-containing cytotoxic drugs IMMUNOGEN, INC. (US) 1998-12-08 US disclosed
EP-0541168-B1 HIV protease inhibitors useful for the treatment of aids MERCK & CO INC (US) 1998-03-11 EP disclosed
US-5585499-A DRUG DELIVERY IMMUNOGEN INC. (US) 1996-12-17 US disclosed
US-5475092-A Deliver cytotoxic drugs to specific cell population in targeted fashion IMMUNOGEN INC. (US) 1995-12-12 US disclosed
EP-0563475-A1 Cell binding agent conjugates of derivatives of CC-1065 IMMUNOGEN INC (US) 1993-10-06 EP 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 (4 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-20110280890-A1 PRODRUGS OF CC-1065 ANALOGS CASP5, SENP5, CWC15 NPC1 2136/4885RAB9A 3993/4885MAOB 4819/4885
US-20030199519-A1 Prodrugs of CC-1065 analogs CASP5, DNPEP, PRCP NPC1 2467/4885RAB9A 3531/4885MAOB 4641/4885
US-20110008373-A1 PRODRUGS OF CC-1065 ANALOGS CASP5, DNPEP, PRCP NPC1 2467/4885RAB9A 3531/4885MAOB 4641/4885
US-20040109867-A1 Prodrugs of CC-1065 analogs CASP5, DNPEP, PRCP NPC1 2467/4885RAB9A 3531/4885MAOB 4641/4885

“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.