SCHEMBL4124837

SCHEMBL4124837

O=[N+]([O-])c1cc(-c2nnn[nH]2)ccc1NC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.52
TP53 P04637 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
MAPT P10636 3/20 0.49
WNK1 Q9H4A3 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPK1 P28482 1/20 0.49
POLB P06746 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL4129863 0.80 KDM4E (0.46) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL11147978 0.75 MAPT (0.51) KMT2AMAPTPOLB
SCHEMBL23786250 0.73 MAPT (0.69) HCAR3MEN1KMT2AMAPTWNK1
SCHEMBL8607686 0.73 MAPT (0.69) HCAR3MEN1KMT2AMAPTWNK1
SCHEMBL31587439 0.73 MAPT (0.57) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL23850615 0.73 MAPT (0.57) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL4100802 0.72 MAPT (0.50) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL23850830 0.72 ALDH1A1 (0.46) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL5311953 0.72 MAPT (0.60) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL31587453 0.72 ALDH1A1 (0.46) MEN1KMT2AMAPTALDH1A1LMNA

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-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
CN-1829709-A Bicyclic imidazol derivatives against flaviviridae GENELABS TECH INC (US) 2006-09-06 CN disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 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 (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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 HCAR3 2952/4885TP53 2428/4885MEN1 4832/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 HCAR3 2952/4885TP53 2428/4885MEN1 4832/4885

“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.