SCHEMBL2144207

SCHEMBL2144207

O=C(c1ccc2cccnc2c1O)N1CCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.48
MAPT P10636 3/20 0.48
HTT P42858 3/20 0.48
LMNA P02545 1/20 0.48
ROCK1 Q13464 1/20 0.44
ALDH1A1 P00352 2/20 0.44
RAB9A P51151 4/20 0.43
KMT2A Q03164 3/20 0.43
HTR2C P28335 1/20 0.42
MEN1 O00255 2/20 0.42
HSP90AA1 P07900 2/20 0.42
TDP1 Q9NUW8 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CTSB P07858 1/20 0.41
DRD2 P14416 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
NFKB1 P19838 1/20 0.41
CASP6 P55212 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL2143863 0.92 HTR2C (0.51) NPC1MAPTHTTLMNAALDH1A1
SCHEMBL15715804 0.84 ALDH1A1 (0.47) NPC1MAPTLMNAALDH1A1RAB9A
SCHEMBL16735676 0.82 MAPT (0.48) NPC1MAPTHTTLMNAROCK1
SCHEMBL2143714 0.82 POLB (0.56) NPC1MAPTHTTLMNAALDH1A1
SCHEMBL2143843 0.78 PDK1 (0.48) MAPTHTTLMNAALDH1A1KMT2A
SCHEMBL2143811 0.78 PDK1 (0.48) NPC1ALDH1A1RAB9AKMT2ASMN1; SMN2
SCHEMBL2143814 0.78 SLC22A12 (0.52) NPC1ALDH1A1KMT2AHTR2CMEN1
SCHEMBL2143791 0.76 POLB (0.53) MAPTHTTLMNAALDH1A1KMT2A
SCHEMBL2143846 0.76 GPBAR1 (0.51) MAPTALDH1A1KMT2AHTR2CMEN1
Quinoline SCHEMBL27786647 0.75 ROCK1 (0.46) NPC1MAPTHTTLMNAROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2519505-B1 TERTIARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES AND USES THEREOF POLICHEM SA (LU) 2015-05-27 EP claimed
US-8729098-B2 Tertiary 8-hydroxyquinoline-7-carboxamide derivatives and uses thereof POLICHEM SA (LU) 2014-05-20 US claimed
US-20120309751-A1 TERTIARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES AND USES THEREOF POLICHEM SA (LU) 2012-12-06 US claimed
EP-2345643-A1 New tertiary 8-hydroxyquinoline-7-carboxamide derivatives and uses thereof POLICHEM S.A. (LU) 2011-07-20 EP claimed
EP-2519505-B1 TERTIARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES AND USES THEREOF POLICHEM SA (LU) 2015-05-27 EP disclosed
US-8729098-B2 Tertiary 8-hydroxyquinoline-7-carboxamide derivatives and uses thereof POLICHEM SA (LU) 2014-05-20 US disclosed
US-8729098-B2 Tertiary 8-hydroxyquinoline-7-carboxamide derivatives and uses thereof POLICHEM SA (LU) 2014-05-20 US disclosed
US-20120309751-A1 TERTIARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES AND USES THEREOF POLICHEM SA (LU) 2012-12-06 US disclosed
US-20120309751-A1 TERTIARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES AND USES THEREOF POLICHEM SA (LU) 2012-12-06 US disclosed
EP-2519505-A1 NEW TERTIARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES AND USES THEREOF Polichem SA (LU) 2012-11-07 EP disclosed
EP-2345643-A1 New tertiary 8-hydroxyquinoline-7-carboxamide derivatives and uses thereof POLICHEM S.A. (LU) 2011-07-20 EP disclosed
WO-2011080264-A1 NEW TERTIARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES AND USES THEREOF POLICHEM S.A. (LU) 2011-07-07 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 (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-20120309751-A1 TERTIARY 8-HYDROXYQUINOLINE-7-CARBOXAMIDE DERIVATIVES AND USES THEREOF TUBA8, SUCLG1, TUBB8 NPC1 1244/4885MAPT 2844/4885HTT 3400/4885

“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.