SCHEMBL16044320

SCHEMBL16044320

O=[N+]([O-])c1ccc(Br)cc1NCCN1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.61
POLB P06746 1/20 0.57
PKM P14618 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 2/20 0.56
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 3/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP2C19 P33261 1/20 0.48

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
SCHEMBL14247553 0.93 MAPT (0.67) MAPTPOLBPKMTDP1LMNA
SCHEMBL4039191 0.90 MAPT (0.66) MAPTPOLBPKMTDP1LMNA
SCHEMBL17678159 0.89 MAPT (0.52) MAPTPKMMAPK1ALDH1A1RAB9A
SCHEMBL5341510 0.85 CYP2C19 (0.62) MAPTPOLBPKMTDP1LMNA
SCHEMBL22456073 0.85 MAPT (0.67) MAPTPOLBPKMTDP1LMNA
SCHEMBL8564086 0.85 MAPT (0.61) MAPTPOLBPKMTDP1LMNA
SCHEMBL4240340 0.82 MAPT (0.58) MAPTPOLBPKMTDP1LMNA
SCHEMBL22455941 0.82 MAPT (0.61) MAPTPOLBPKMTDP1LMNA
SCHEMBL737318 0.82 MEN1 (0.62) MAPTPOLBPKMTDP1LMNA
SCHEMBL17678243 0.81 HRH3 (0.55) MAPTPOLBPKMMAPK1ALDH1A1

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 10 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
US-20190151312-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BIOMARIN PHARMACEUTICAL INC. 2019-05-23 US disclosed
CN-107106561-A Heparan sulfate biosynthesis inhibitor for treating disease 生物马林药物股份有限公司 2017-08-29 CN disclosed
EP-3204009-A1 HEPARAN SULFATE BIOSYNTHESIS INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2017-08-16 EP disclosed
US-9650358-B2 Pyridine CDK9 kinase inhibitors ABBVIE INC. (US) 2017-05-16 US 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-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS ABBVIE INC. (US) 2014-09-18 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 MAPT 3263/4885POLB 1821/4885PKM 1561/4885
US-20140275011-A1 PYRIDINE CDK9 KINASE INHIBITORS CDK9, CDK19, CDK6 MAPT 2993/4885POLB 928/4885PKM 279/4885

“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.