SCHEMBL7820001

SCHEMBL7820001

COc1ccc(NCC2CC2)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
MAPT P10636 7/20 0.53
ALDH1A1 P00352 6/20 0.53
HPGD P15428 1/20 0.53
RECQL P46063 1/20 0.53
AKR1C3 P42330 3/20 0.52
AKR1C2 P52895 3/20 0.52
MAPK1 P28482 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 2/20 0.49
AKR1B10 O60218 1/20 0.49
AKR1B1 P15121 1/20 0.49
AKR1C4 P17516 1/20 0.49
AKR1C1 Q04828 1/20 0.49

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
SCHEMBL11909636 0.82 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL11909631 0.82 ALDH1A1 (0.52) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL9604230 0.82 KAT2B (0.58) MEN1KMT2AMAPTALDH1A1MAPK1
SCHEMBL11893761 0.81 MAPT (0.51) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL11893762 0.81 MAPT (0.51) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL4280959 0.81 KMT2A (0.56) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL7661 0.81 ALDH1A1 (0.51) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL7663 0.81 ALDH1A1 (0.51) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL11934846 0.80 MAPT (0.45) MEN1KMT2AMAPTMAPK1NPC1
SCHEMBL13438722 0.80 MAPT (0.45) MEN1KMT2AMAPTMAPK1NPC1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2705024-B1 Alkyne benzotriazole derivatives MERCK SHARP & DOHME (US) 2015-12-16 EP disclosed
US-9139576-B2 Aminomethyl biaryl benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-09-22 US disclosed
US-9139576-B2 Aminomethyl biaryl benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-09-22 US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8975286-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2015-03-10 US disclosed
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-8785482-B2 Cyclohexene benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-8785481-B2 Ether benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
US-8785482-B2 Cyclohexene benzotriazole derivatives MERCK SHARP & DOHME CORP. (US) 2014-07-22 US disclosed
WO-2012151140-A1 HYDROXYMETHYL BIARYL BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-11-08 WO disclosed
WO-2012151138-A1 CYCLOHEXENE BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-11-08 WO disclosed
WO-2012151136-A1 AMINOMETHYL BIARYL BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-11-08 WO disclosed
EP-2470527-A1 ETHER BENZOTRIAZOLE DERIVATIVES Merck Sharp & Dohme Corp. (US) 2012-07-04 EP disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US disclosed
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME LLC 2012-05-31 US disclosed
WO-2010141360-A1 BIARYL BENZOTRIAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2010-12-09 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-20120149677-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 MEN1 4800/4885KMT2A 327/4885MAPT 362/4885
US-20120135977-A1 ETHER BENZOTRIAZOLE DERIVATIVES GRM2, GRIA2, GRIK2 MEN1 4800/4885KMT2A 327/4885MAPT 362/4885

“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.