SCHEMBL4647917

SCHEMBL4647917

O=C(O)Nc1ccc2c(c1)OCO2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.77
RAB9A P51151 9/20 0.77
SMN1; SMN2 Q16637 8/20 0.77
KMT2A Q03164 3/20 0.77
MEN1 O00255 2/20 0.77
POLB P06746 2/20 0.77
MAPT P10636 5/20 0.70
NFKB1 P19838 2/20 0.70
NFKB2 Q00653 2/20 0.70
RELA Q04206 2/20 0.70
ALDH1A1 P00352 4/20 0.68
PKM P14618 1/20 0.68
HTT P42858 3/20 0.66
GAA P10253 1/20 0.66
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
TP53 P04637 1/20 0.62

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
SCHEMBL12610862 0.89 CYP1A2 (0.72) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL107421 0.87 RAB9A (1.00) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL179084 0.87 NPC1 (0.79) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL12611073 0.86 CYP1A2 (0.63) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL27666186 0.85 NPC1 (0.77) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1742667 0.84 CYP1A2 (0.81) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL1383868 0.84 NPC1 (0.74) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL6993043 0.84 NPC1 (0.74) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL12010919 0.83 RAB9A (0.84) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL179080 0.82 SMN1; SMN2 (0.72) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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
EP-0799209-B1 SULFONAMIDES HOFFMANN LA ROCHE (CH) 2003-08-06 EP claimed
EP-0799209-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP claimed
WO-1996019459-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 WO claimed
EP-1581467-B1 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INST TECHNOLOGY (US) 2016-10-12 EP disclosed
EP-2583958-B1 Ligands for metals and improved metal-catalyzed processes based thereon MASSACHUSETTS INST TECHNOLOGY (US) 2016-08-10 EP disclosed
EP-2583958-A1 Ligands for metals and improved metal-catalyzed processes based thereon Massachusetts Institute of Technology (MIT) (US) 2013-04-24 EP disclosed
WO-2013006408-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-10 WO disclosed
WO-2012127012-A1 BIPHENYL TRICYCLIC QUINAZOLINE COMPOUNDS UNIVERSITA' DEGLI STUDI DI PADOVA (IT) 2012-09-27 WO disclosed
US-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds SOLVAY PHARMACEUTICALS GMBH (DE) 2008-10-09 US disclosed
WO-2008113851-A2 NOVEL C11 MODIFIED RETROSTEROIDS AS PROGESTERONE RECEPTOR MODULATOR COMPOUNDS SOLVAY PHARMACEUTICALS GMBH (DE) 2008-09-25 WO disclosed
EP-1581467-A4 LIGANDS FOR METALS AND IMPROVED METAL-CATALYZED PROCESSES BASED THEREON MASSACHUSETTS INST TECHNOLOGY (US) 2008-08-13 EP disclosed
EP-1027309-A4 METHODS AND COMPOSITIONS FOR ENHANCING GROWTH OF LIVING ORGANISMS NONOMURA ARTHUR M (US) 2001-04-11 EP disclosed
EP-1032262-A1 METHODS AND COMPOSITIONS FOR ENHANCING CYTOCHROME P450 IN PLANTS NONOMURA, Arthur M. (US) 2000-09-06 EP disclosed
EP-1027309-A1 METHODS AND COMPOSITIONS FOR ENHANCING GROWTH OF LIVING ORGANISMS NONOMURA, Arthur M. (US) 2000-08-16 EP disclosed
US-6020288-A PLANT GROWTH AGENT NONOMURA ARTHUR M (US) 2000-02-01 US disclosed
US-5958104-A APPLYING ALKYL GLUCOSIDE NONOMURA ARTHUR M (US) 1999-09-28 US disclosed
WO-1999012868-A1 METHODS AND COMPOSITIONS FOR ENHANCING GROWTH OF LIVING ORGANISMS NONOMURA ARTHUR M (US) 1999-03-18 WO disclosed
WO-1999012417-A1 METHODS AND COMPOSITIONS FOR ENHANCING CYTOCHROME P450 IN PLANTS NONOMURA ARTHUR M (US) 1999-03-18 WO disclosed
EP-0799209-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1997-10-08 EP disclosed
WO-1996019459-A1 NOVEL SULFONAMIDES F. HOFFMANN-LA ROCHE AG (CH) 1996-06-27 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-20080249075-A1 C11 Modified Retrosteroids as Progesterone Receptor Modulator Compounds HSD17B11, CYP19A1, ESRRA NPC1 1422/4885RAB9A 1020/4885SMN1; SMN2 2292/4885

“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.