SCHEMBL18231973

SCHEMBL18231973

O=[N+]([O-])c1ccc2ncnc(NCCc3ccc(Cl)cc3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 6/20 0.72
▸ NR2F2 P24468 1/20 0.63
▸ CNR1 P21554 2/20 0.57
▸ CNR2 P34972 2/20 0.57
▸ PDE5A O76074 1/20 0.55
▸ MEN1 O00255 1/20 0.55
▸ MAPT P10636 1/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ PIK3CD O00329 1/20 0.54
▸ PIK3R1 P27986 1/20 0.54
▸ CCNC P24863 1/20 0.54
▸ CDK8 P49336 1/20 0.54
▸ EGFR P00533 2/20 0.53
▸ HRH4 Q9H3N8 1/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ TTBK1 Q5TCY1 1/20 0.51
▸ TTBK2 Q6IQ55 1/20 0.51
▸ ALK Q9UM73 1/20 0.51
▸ KDR P35968 1/20 0.50

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
SCHEMBL9921349 0.88 EGFR (0.64) HTTCNR1CNR2MAPTEGFR
SCHEMBL23202858 0.85 HTT (0.69) HTTNR2F2PDE5AMEN1MAPT
SCHEMBL23202863 0.85 HTT (0.60) HTTNR2F2CNR1CNR2PDE5A
SCHEMBL23202908 0.84 HTT (0.69) HTTNR2F2PDE5ACCNCCDK8
SCHEMBL28530926 0.84 CCNC (0.57) HTTCNR1CNR2PDE5AMAPT
SCHEMBL7469664 0.83 HTT (0.63) HTTNR2F2CNR1CNR2PDE5A
SCHEMBL11846542 0.82 EGFR (0.61) HTTMEN1MAPTKMT2AEGFR
SCHEMBL13191864 0.81 EGFR (0.61) HTTNR2F2CNR1CNR2PDE5A
SCHEMBL23202857 0.81 HTT (0.69) HTTNR2F2PDE5AMEN1MAPT
SCHEMBL30827847 0.81 HTT (0.69) HTTNR2F2PDE5AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180147206-A1 ACTIVATION OF NEURONAL STORE-OPERATED CALCIUM ENTRY PATHWAY FOR THE TREATMENT OF ALZHEIMER'S DISEASE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-05-31 — — US disclosed
WO-2016182812-A1 ACTIVATION OF NEURONAL STORE-OPERATED CALCIUM ENTRY PATHWAY FOR THE TREATMENT OF ALZHEIMER'S DISEASE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-11-17 — — 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-20180147206-A1 ACTIVATION OF NEURONAL STORE-OPERATED CALCIUM ENTRY PATHWAY FOR THE TREATMENT OF ALZHEIMER'S DISEASE CAMK2A, CAMK2G, CAMK2B HTT 1075/4885NR2F2 1065/4885CNR1 786/4885

“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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