SCHEMBL15399488

SCHEMBL15399488

O=[N+]([O-])c1cnc(NCCCc2ccccc2)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.60
ALDH1A1 P00352 3/20 0.53
NPC1 O15118 3/20 0.53
HDAC6 Q9UBN7 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
TRPA1 O75762 1/20 0.53
LMNA P02545 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
CDK2 P24941 1/20 0.53
MAPK1 P28482 1/20 0.53
THPO P40225 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PRKCQ Q04759 2/20 0.52
POLB P06746 2/20 0.51

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
SCHEMBL22191322 0.79 HPGD (0.72) HPGDHDAC6MEN1CYP1A2KMT2A
SCHEMBL15435182 0.77 HPGD (0.70) HPGDHDAC6HDAC3HDAC1HDAC2
SCHEMBL22202128 0.77 HPGD (0.70) HPGDHDAC6MEN1KMT2APOLB
SCHEMBL4967362 0.74 SMN1; SMN2 (0.74) ALDH1A1NPC1MAPTMEN1LMNA
SCHEMBL9438148 0.73 MAPT (0.40) ALDH1A1NPC1MAPTMEN1LMNA
SCHEMBL29225114 0.73 ABCG2 (0.49) HPGDALDH1A1MAPTMEN1LMNA
SCHEMBL6713030 0.72 ALDH1A1 (0.58) HPGDALDH1A1NPC1HDAC6MAPT
SCHEMBL15399370 0.71 CYP19A1 (0.56) ALDH1A1MAPTMEN1LMNAKMT2A
SCHEMBL6046201 0.71 GRM8 (0.40) ALDH1A1
SCHEMBL6755736 0.71 HDAC3 (0.56) ALDH1A1NPC1HDAC6LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2687507-B1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 EP disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
EP-2687507-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2014-01-22 EP disclosed
US-20140005382-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-01-02 US 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-20140005382-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND LCAT, ACAT2, SOAT2 HPGD 1917/4885ALDH1A1 1900/4885NPC1 60/4885

“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.