SCHEMBL3450422

SCHEMBL3450422

Cn1nccc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MBD2 Q9UBB5 1/20 0.44
ALDH1A1 P00352 3/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ACHE P22303 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 3/20 0.43
APP P05067 1/20 0.43
LMNA P02545 1/20 0.42
NPC1 O15118 1/20 0.42
NOTUM Q6P988 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
SLC13A5 Q86YT5 1/20 0.41

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
SCHEMBL5946645 0.84 CYP19A1 (0.50) CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4311743 0.80 DRD1 (0.42) ALDH1A1RAB9APKMRXFP1ACHE
SCHEMBL4309553 0.80 APOBEC3G (0.45) ALDH1A1RAB9AACHEHSD17B10MAPT
SCHEMBL17796454 0.77 POLB (0.46) CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15559375 0.77 ACHE (0.51) ALDH1A1RAB9APKMACHEHSD17B10
SCHEMBL15559842 0.76 SMN1; SMN2 (0.49) CYP2C9CYP2C19ALDH1A1RAB9APKM
SCHEMBL19174957 0.76 MAPT (0.46) CYP3A4ALDH1A1RAB9AHSD17B10MAPT
SCHEMBL12326767 0.75 CYP1A2 (0.47) CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3447723 0.75 CYP1A2 (0.54) CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2192434 0.75 PHGDH (0.47) CYP19A1CYP1A2CYP3A4CYP2D6CYP2C9

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 7 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
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-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-01-21 US 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-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES HPSE, GAA, MAN2B1 CYP19A1 2024/4885CYP1A2 2099/4885CYP3A4 3390/4885
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF ALPI, SI, FABP2 CYP19A1 1851/4885CYP1A2 3167/4885CYP3A4 3165/4885

“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.