SCHEMBL3085553

SCHEMBL3085553

O=Cc1cc2c([N+](=O)[O-])cccc2o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.62
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
GAA P10253 1/20 0.62
TDP1 Q9NUW8 2/20 0.48
CYP2A6 P11509 1/20 0.46
ALDH1A1 P00352 4/20 0.44
LMNA P02545 1/20 0.44
ERN1 O75460 1/20 0.42
GPR35 Q9HC97 2/20 0.39
POLB P06746 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37

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
SCHEMBL8039855 0.77 MEN1 (1.00) MAPTMEN1KMT2AGAATDP1
SCHEMBL20125060 0.77 MAPT (0.66) MAPTMEN1KMT2AGAATDP1
SCHEMBL11540656 0.74 MAOA (0.57) MAPTMEN1KMT2AGAATDP1
SCHEMBL4777597 0.74 GPR35 (0.60) MAPTMEN1KMT2AGAATDP1
SCHEMBL6176327 0.73 MAPT (0.65) MAPTMEN1KMT2AGAATDP1
SCHEMBL3072829 0.73 MAPT (0.60) MAPTMEN1KMT2AGAATDP1
SCHEMBL15828669 0.73 MEN1 (0.60) MAPTMEN1KMT2AGAATDP1
SCHEMBL25404731 0.73 CYP2A6 (0.52) MAPTCYP2A6ALDH1A1LMNAMAOA
SCHEMBL8440411 0.73 CYP2A6 (0.52) MAPTMEN1KMT2ATDP1CYP2A6
SCHEMBL16686379 0.73 CYP2A6 (0.52) MAPTMEN1KMT2ACYP2A6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795255-B2 Rigidified compounds for modulating heparanase activity INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2010-09-14 US disclosed
US-20080039456-A1 Rigidified Compounds for Modulating Heparanase Activity INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2008-02-14 US disclosed
EP-1846383-A2 RIGIDIFIED COMPOUNDS FOR MODULATING HEPARANASE ACTIVITY Insight Biopharmaceuticals Ltd. (IL) 2007-10-24 EP disclosed
WO-2006072953-A2 RIGIDIFIED COMPOUNDS FOR MODULATING HEPARANASE ACTIVITY INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2006-07-13 WO disclosed
US-4680292-A Carbapenems and 1-methylcarbapenems having a 2-heteroaryliumaliphatic substituent MERCK & CO., INC. (US) 1987-07-14 US disclosed
EP-0160876-A1 1-Hetero-6-/1-Hydroxyethyl/-2-SR8-1-carbadethiapen-2-EM-3-carboxylic acids MERCK & CO. INC. (US) 1985-11-13 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 (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-20080039456-A1 Rigidified Compounds for Modulating Heparanase Activity HPSE, HEXA, GAA MAPT 2880/4885MEN1 3219/4885KMT2A 1428/4885

“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.