SCHEMBL14800833

SCHEMBL14800833

O=C(O)Nc1n[c]nc(NC(=O)O)c1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ PPIA P62937 1/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ SGMS2 Q8NHU3 2/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ NR4A1 P22736 1/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ NR4A3 Q92570 1/20 0.41
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ P4HTM Q9NXG6 1/20 0.40
▸ DHODH Q02127 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CCNB2 O95067 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
SCHEMBL19127500 0.75 PTPN1 (0.45) LMNAHPGDPPIABRD4PTPN1
SCHEMBL3990621 0.70 ENPP2 (0.50) LMNABRD4SGMS2ALDH1A1MEN1
SCHEMBL26669004 0.70 BRD4 (0.60) PPIABRD4NPC1RAB9ASGMS2
SCHEMBL11179023 0.69 PPIA (0.52) LMNAHPGDPPIABRD4PTPN1
SCHEMBL3619403 0.68 BRD4 (0.77) PPIABRD4NPC1RAB9ASGMS2
SCHEMBL4666205 0.68 RAB9A (0.74) PTPN1NPC1RAB9ASMN1; SMN2LTA4H
SCHEMBL17509928 0.68 BRD4 (0.50) LMNAHPGDPPIABRD4PTPN1
SCHEMBL28554110 0.68 TSHR (0.44) LMNABRD4NPC1RAB9ASMN1; SMN2
SCHEMBL19146484 0.67 NPC1 (0.51) LMNAHPGDBRD4PTPN1NPC1
SCHEMBL22289085 0.67 ALDH1A1 (0.45) LMNAHPGDBRD4PTPN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2760843-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2016-03-02 — — EP disclosed
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
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 (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-20130079338-A1 Selective NR2B Antagonists GRIN2B, GRIN2A, GRIN3A LMNA 3869/4885HPGD 1406/4885PPIA 3631/4885

“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.

Send feedback