SCHEMBL915382

SCHEMBL915382

CN1CCC[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
ALDH1A1 P00352 6/20 0.56
CYP2D6 P10635 2/20 0.55
CYP2C19 P33261 2/20 0.55
PKM P14618 1/20 0.55
CYP2C9 P11712 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
MEN1 O00255 4/20 0.54
POLB P06746 2/20 0.53
MAPT P10636 2/20 0.53
DDX3X O00571 1/20 0.53
HTT P42858 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
BLM P54132 1/20 0.52
CYP1A2 P05177 1/20 0.52
RECQL P46063 1/20 0.52

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
SCHEMBL915385 1.00 KMT2A (0.59) KMT2AALDH1A1CYP2D6CYP2C19PKM
SCHEMBL3713175 0.83 KMT2A (0.53) KMT2AALDH1A1CYP2D6CYP2C19CYP2C9
SCHEMBL914030 0.81 CYP3A4 (0.54) KMT2AALDH1A1CYP2D6CYP2C9SMN1; SMN2
SCHEMBL914028 0.81 CYP3A4 (0.54) KMT2AALDH1A1CYP2D6CYP2C9SMN1; SMN2
SCHEMBL30204989 0.80 CYP3A4 (0.48) KMT2AALDH1A1CYP2D6LMNAGAA
SCHEMBL26207454 0.79 ALDH1A1 (0.57) ALDH1A1CYP2D6CYP2C19CYP2C9POLB
SCHEMBL12890054 0.79 ALDH1A1 (0.57) ALDH1A1CYP2D6CYP2C19CYP2C9POLB
SCHEMBL77872 0.79 MAPT (0.58) KMT2AALDH1A1CYP2D6SMN1; SMN2NPC1
SCHEMBL77873 0.79 MAPT (0.58) KMT2AALDH1A1CYP2D6SMN1; SMN2NPC1
SCHEMBL4230036 0.78 KMT2A (0.71) KMT2AALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-8853230-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-07 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-20130137673-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-8367689-B2 Inhibitors of JAK PORTOLA PHARMACEUTICALS, INC. (US) 2013-02-05 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110005947-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 WO disclosed
WO-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 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-20130137673-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 KMT2A 1528/4885ALDH1A1 2512/4885CYP2D6 1872/4885
US-20110005947-A1 INHIBITORS OF JAK JAK1, JAK2, JAK3 KMT2A 1528/4885ALDH1A1 2512/4885CYP2D6 1872/4885

“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.