SCHEMBL4865554

SCHEMBL4865554

[O]Cc1noc(-c2ccccc2)n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.68
NPC1 O15118 6/20 0.60
RAB9A P51151 6/20 0.60
SMN1; SMN2 Q16637 6/20 0.60
MAPT P10636 2/20 0.60
PKM P14618 2/20 0.60
HSD17B10 Q99714 2/20 0.60
KDM4E B2RXH2 1/20 0.60
ALDH1A1 P00352 1/20 0.60
HPGD P15428 1/20 0.60
NR1H4 Q96RI1 2/20 0.57
HTT P42858 1/20 0.53
HDAC6 Q9UBN7 3/20 0.52
LMNA P02545 1/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 1/20 0.49
FFAR1 O14842 1/20 0.48
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47

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
SCHEMBL21776935 0.82 NOTUM (0.70) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL4865565 0.81 NOTUM (1.00) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL120396 0.81 NOTUM (0.68) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7254223 0.81 NOTUM (0.68) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL91656 0.81 SMN1; SMN2 (0.70) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7254229 0.81 NOTUM (0.68) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL16867184 0.80 NOTUM (0.62) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7585415 0.79 NPC1 (0.79) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL990519 0.79 NPC1 (0.68) NOTUMNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9005927 0.78 NOTUM (0.74) NOTUMNPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012138945-A1 METHODS OF TREATING SCHIZOPHRENIA WITH PYRAZOLE DERIVATIVE INHIBITORS OF TGF - BETA AESTUS THERAPEUTICS, INC. (US) 2012-10-11 WO claimed
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP claimed
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP claimed
US-7087626-B2 Pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-08-08 US claimed
US-20050222197-A1 Novel pyrazolopyridine derivatives as pharmaceutical agents BEIGHT DOUGLAS W 2005-10-06 US claimed
EP-1578749-A2 PYRAZOLOAZEPINE COMPOUNDS AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2005-09-28 EP claimed
EP-1543001-A1 NOVEL PYRAZOLOPYRIDINE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2005-06-22 EP claimed
WO-2004048381-A2 PYRAZOLOAZEPINE COMPOUNDS AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-06-10 WO claimed
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY 2004-06-03 US claimed
WO-2004026871-A1 NOVEL PYRAZOLOPYRIDINE DERIVATVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-04-01 WO claimed
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP claimed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 WO claimed
WO-2012138945-A1 METHODS OF TREATING SCHIZOPHRENIA WITH PYRAZOLE DERIVATIVE INHIBITORS OF TGF - BETA AESTUS THERAPEUTICS, INC. (US) 2012-10-11 WO disclosed
US-7365066-B2 Pyrazolopyridine derivatives as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-04-29 US disclosed
EP-1543001-B1 PYRAZOLOPYRIDINE DERIVATIVES AS TGF BETA SIGNAL TRANSDUCTION INHIBITORS FOR THE TREATMENT OF CANCER LILLY CO ELI (US) 2007-08-15 EP disclosed
EP-1397364-B1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS LILLY CO ELI (US) 2007-07-25 EP disclosed
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents ELI LILLY AND COMPANY 2004-06-03 US disclosed
WO-2004026871-A1 NOVEL PYRAZOLOPYRIDINE DERIVATVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-04-01 WO disclosed
EP-1397364-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-03-17 EP disclosed
WO-2002094833-A1 NOVEL PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2002-11-28 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 (2 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-20050222197-A1 Novel pyrazolopyridine derivatives as pharmaceutical agents TGFB2, TGFB1, TGFBR1 NOTUM 3888/4885NPC1 3491/4885RAB9A 2056/4885
US-20040106604-A1 Novel pyrrole derivatives as pharmaceutical agents TGFBR1, SMAD3, TGFBR2 NOTUM 3638/4885NPC1 3778/4885RAB9A 2005/4885

“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.