SCHEMBL1160101

SCHEMBL1160101

O=[C]c1ccnc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.50
LOXL2 Q9Y4K0 1/20 0.47
HTR1A P08908 2/20 0.44
ADRA1D P25100 2/20 0.44
ADRA1A P35348 2/20 0.44
ADRA1B P35368 2/20 0.44
MAPT P10636 4/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
TP53 P04637 2/20 0.43
PTK2B Q14289 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 3/20 0.43
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
ESR1 P03372 1/20 0.40
CYP1A2 P05177 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 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
SCHEMBL2009861 0.86 MAPT (0.52) NCF1MAPTSMN1; SMN2KDM4ECYP1A2
SCHEMBL15947627 0.83 NCF1 (0.54) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL29619912 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL21858489 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL6102087 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL736202 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL3090736 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL828123 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL30098629 0.79 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL6851753 0.77 NCF1 (0.44) NCF1LOXL2HTR1AADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120116027-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS NOVO NORDISK A/S (DK) 2012-05-10 US claimed
EP-2356141-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS Novo Nordisk A/S (DK) 2011-08-17 EP claimed
WO-2010055135-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS NOVO NORDISK A/S (DK) 2010-05-20 WO claimed
EP-2056897-B1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL BLUE MEDICAL DEVICES B V (NL) 2009-12-30 EP claimed
US-20090300800-A1 D-Amino Acid a Selectable Marker for Barley (Hordeum Vulgare L.) Transformation BASF PLANT SCIENCE GMBH (DE) 2009-12-03 US claimed
US-20090258053-A1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL BLUE MEDICAL DEEVICES BV (NL) 2009-10-15 US claimed
EP-2056897-A1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL Blue Medical Devices B.V. (NL) 2009-05-13 EP claimed
US-20080050413-A1 Medical stent provided with a combination of melatonin and paclitaxel BLUE MEDICAL DEVICES BV (NL) 2008-02-28 US claimed
WO-2008023038-A1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL BLUE MEDICAL DEVICES BV (NL) 2008-02-28 WO claimed
US-20070248996-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids PARAECIS PHARMACEUTICALS, INC. (US) 2007-10-25 US claimed
EP-0827507-B1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM CA LTD (CA) 1999-06-16 EP claimed
WO-1998008868-A9 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS 1998-05-28 WO claimed
EP-0827507-A1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 1998-03-11 EP claimed
WO-1998008868-A1 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 1998-03-05 WO claimed
WO-1996031527-A1 PROTEASE INHIBITING SUCCINIC ACID DERIVATIVES BOEHRINGER INGELHEIM (CANADA) LTD./BOEHRINGER INGELHEIM (CANADA) LTÉE. (CA) 1996-10-10 WO claimed
US-5545640-A VIRICIDES, HIV; AIDS BIO-MEGA/BOEHRINGER INGELEHEIM RESEARCH INC. (CA) 1996-08-13 US claimed
US-5502035-A N-terminus modified analogs of LHRH TAP HOLDINGS INC. (US) 1996-03-26 US claimed
US-4775747-A PIGMENTS FOR POLYMERS CIBA-GEIGY CORPORATION (US) 1988-10-04 US claimed
EP-0234098-A1 N-[piperidylaminocarbonyl]quinolinecarboxamide derivatives having psychotropic activity JOHN WYETH & BROTHER LIMITED (GB) 1987-09-02 EP claimed
EP-0143746-A2 5-Amino 4-hydroxy-valeryl-substituted derivatives CIBA-GEIGY AG (CH) 1985-06-05 EP claimed

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-20070248996-A1 Modulators of beta-amyloid peptide aggregation comprising D-amino acids APP, IAPP, BACE1 NCF1 4831/4885LOXL2 4604/4885HTR1A 880/4885
US-20090258053-A1 MEDICAL STENT PROVIDED WITH A COMBINATION OF MELATONIN AND PACLITAXEL MTNR1B, MTNR1A, MYLK NCF1 4434/4885LOXL2 942/4885HTR1A 463/4885
US-20120116027-A1 PROCESS FOR THE PURIFICATION OF HUMAN GROWTH HORMONE POLYPEPTIDES USING AFFINITY RESINS COMPRISING SPECIFIC LIGANDS GHRHR, GHITM, GHSR NCF1 2602/4885LOXL2 2639/4885HTR1A 2620/4885

“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.