SCHEMBL14800641

SCHEMBL14800641

[c]1ccc(Nc2nccs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.46
ALDH1A1 P00352 6/20 0.42
TDP1 Q9NUW8 3/20 0.42
SMN1; SMN2 Q16637 5/20 0.40
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
CYP1A2 P05177 4/20 0.40
LMNA P02545 4/20 0.40
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
CYP2C9 P11712 3/20 0.40
HTT P42858 3/20 0.40
GAA P10253 3/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2D6 P10635 2/20 0.40
NFKB1 P19838 2/20 0.40
CYP2C19 P33261 2/20 0.40
PKM P14618 2/20 0.40
AURKA O14965 1/20 0.40
PIM1 P11309 1/20 0.40

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
SCHEMBL722560 0.80 RAB9A (0.59) PLA2G7ALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL17397927 0.80 PLA2G7 (0.49) PLA2G7ALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL28800058 0.79 PLA2G7 (0.46) PLA2G7ALDH1A1TDP1SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL6833454 0.78 RAB9A (0.57) PLA2G7ALDH1A1TDP1SMN1; SMN2MEN1
Bromide SCHEMBL7502411 0.78 RAB9A (0.57) PLA2G7ALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL14881017 0.77 MEN1 (0.54) PLA2G7ALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL3053636 0.77 SYK (0.54) PLA2G7ALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL2981886 0.77 ALDH1A1 (0.61) PLA2G7ALDH1A1TDP1SMN1; SMN2MEN1
SCHEMBL899534 0.77 SMN1; SMN2 (0.61) PLA2G7ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL5762561 0.77 PLA2G7 (0.58) PLA2G7ALDH1A1SMN1; SMN2MEN1KMT2A

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-8841301-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-23 US claimed
EP-2760856-A1 SELECTIVE NR2B ANTAGONISTS Bristol-Myers Squibb Company (US) 2014-08-06 EP claimed
EP-2760843-A2 SELECTIVE NR2B ANTAGONISTS Bristol-Myers Squibb Company (US) 2014-08-06 EP claimed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US claimed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US claimed
WO-2013049119-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO claimed
WO-2013048949-A2 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO claimed
US-20130079338-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 US claimed
US-8841301-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-23 US disclosed
EP-2760843-A2 SELECTIVE NR2B ANTAGONISTS Bristol-Myers Squibb Company (US) 2014-08-06 EP disclosed
US-8722670-B2 Selective NR2B antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-13 US disclosed
US-20130085138-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 US disclosed
WO-2013048949-A2 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-04 WO disclosed
US-20130079338-A1 Selective NR2B Antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2013-03-28 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 (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-20130079338-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A PLA2G7 1497/4885ALDH1A1 1942/4885TDP1 1848/4885
US-20130085138-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A PLA2G7 1497/4885ALDH1A1 1942/4885TDP1 1848/4885

“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.