SCHEMBL4256316

SCHEMBL4256316

NC(=O)Nc1ccc(OC[C@H](O)CCl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.58
▸ KCNH2 Q12809 1/20 0.56
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ ADRB2 P07550 1/20 0.50
▸ ADRB1 P08588 1/20 0.50
▸ ADRB3 P13945 1/20 0.50
▸ OPRK1 P41145 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MAPT P10636 5/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ AR P10275 1/20 0.47
▸ NPC1 O15118 1/20 0.46
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4251911 1.00 ALDH1A1 (0.58) ALDH1A1KCNH2MEN1KMT2ACYP1A2
SCHEMBL4251914 1.00 ALDH1A1 (0.58) ALDH1A1KCNH2MEN1KMT2ACYP1A2
SCHEMBL8092742 0.85 ALDH1A1 (0.58) ALDH1A1KCNH2MEN1KMT2ACYP1A2
SCHEMBL14307663 0.80 ADRB2 (0.78) MEN1KMT2ACYP1A2TSHRADRB2
SCHEMBL7090393 0.80 AR (0.64) ALDH1A1KCNH2MEN1KMT2ACYP1A2
SCHEMBL10877455 0.76 SMN1; SMN2 (0.62) ALDH1A1MEN1KMT2ACYP1A2TSHR
SCHEMBL1305355 0.76 ALDH1A1 (0.62) ALDH1A1KCNH2MEN1KMT2ACYP1A2
SCHEMBL12516195 0.76 LMNA (0.59) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL14904929 0.76 LMNA (0.59) ALDH1A1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL10878167 0.75 NPC1 (0.66) ALDH1A1KMT2ACYP1A2ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170334-B1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION UNIV EMORY (US) 2021-03-17 — — EP disclosed
US-9079852-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2015-07-14 — — US disclosed
US-9079852-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2015-07-14 — — US disclosed
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection LIOTTA DENNIS C (US) 2014-01-30 — — US disclosed
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection LIOTTA DENNIS C (US) 2014-01-30 — — US disclosed
US-8420680-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2013-04-16 — — US disclosed
US-8420680-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2013-04-16 — — US disclosed
US-8420680-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2013-04-16 — — US disclosed
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 — — US disclosed
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 — — 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-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 ALDH1A1 2664/4885KCNH2 137/4885MEN1 3672/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 ALDH1A1 2668/4885KCNH2 135/4885MEN1 3627/4885

“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.

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