SCHEMBL5332219

SCHEMBL5332219

Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
RAB9A P51151 5/20 0.61
NPC1 O15118 4/20 0.61
TP53 P04637 1/20 0.58
POLB P06746 1/20 0.58
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA9 Q16790 1/20 0.58
SIRT2 Q8IXJ6 1/20 0.56
CASP3 P42574 1/20 0.55
LMNA P02545 3/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
PLK1 P53350 1/20 0.53
CHRNB2 P17787 1/20 0.52
CHRNA5 P30532 1/20 0.52
CHRNA4 P43681 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL27412663 0.83 NPC1 (0.74) MAPTRAB9ANPC1POLBSIRT2
SCHEMBL13415301 0.82 L3MBTL1 (0.69) MAPTRAB9ANPC1CA12CA1
SCHEMBL16435278 0.81 NPC1 (0.66) MAPTRAB9ANPC1TP53POLB
SCHEMBL11871592 0.80 MAPT (0.61) MAPTRAB9ANPC1SIRT2CASP3
SCHEMBL11148940 0.80 MAPT (0.57) MAPTRAB9ANPC1TP53POLB
SCHEMBL5330749 0.80 SIRT2 (0.67) MAPTRAB9ANPC1SIRT2CASP3
SCHEMBL5328889 0.80 MAPT (0.61) MAPTRAB9ANPC1POLBSIRT2
SCHEMBL15156997 0.79 MAPT (0.57) MAPTRAB9ANPC1TP53POLB
SCHEMBL7421268 0.79 MAPT (0.60) MAPTRAB9ANPC1TP53POLB
SCHEMBL5569675 0.78 MAPT (0.57) MAPTRAB9ANPC1TP53POLB

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
EP-3204009-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2017-08-16 EP disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
WO-2016057834-A9 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2017-04-13 WO disclosed
EP-2707364-B1 PROCESS FOR THE MANUFACTURE OF DABIGATRAN ETEXILATE AND INTERMEDIATES THEREOF EGIS GYÓGYSZERGYÁR ZRT (HU) 2016-08-24 EP disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
WO-2016057834-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. (US) 2016-04-14 WO disclosed
US-9260421-B2 Pharmaceutical intermediates and process for the preparation thereof EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2016-02-16 US disclosed
US-20140155614-A1 PHARMACEUTICAL INTERMEDIATES AND PROCESS FOR THE PREPARATION THEREOF EGIS GYOGYSZERGYAR NYILVANOSAN MUKODO RESZVENYTARSASAG (HU) 2014-06-05 US disclosed
EP-2707364-A1 PROCESS FOR THE MANUFACTURE OF DABIGATRAN ETEXILATE AND INTERMEDIATES THEREOF EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársaság (HU) 2014-03-19 EP disclosed
WO-2012153158-A1 PROCESS FOR THE MANUFACTURE OF DABIGATRAN ETEXILATE AND INTERMEDIATES THEREOF EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársaság (HU) 2012-11-15 WO disclosed
US-20070135442-A1 Chroman compounds ASTRAZENECA AB (SE) 2007-06-14 US disclosed
WO-2007053094-A1 CHROMAN COMPOUNDS AS 5 -HTlB ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 WO disclosed
US-20060276433-A1 Hydrazone derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-12-07 US disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 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-20070135442-A1 Chroman compounds CYP3A43, CYP2C9, CYP2C8 MAPT 3096/4885RAB9A 614/4885NPC1 773/4885
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 MAPT 3263/4885RAB9A 3766/4885NPC1 66/4885
US-20060276433-A1 Hydrazone derivative APP, PRNP, HTT MAPT 94/4885RAB9A 3127/4885NPC1 952/4885
US-20140155614-A1 PHARMACEUTICAL INTERMEDIATES AND PROCESS FOR THE PREPARATION THEREOF TFPI, VKORC1, VKORC1L1 MAPT 3374/4885RAB9A 1386/4885NPC1 3742/4885

“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.