SCHEMBL19164024

SCHEMBL19164024

[N-]=[N+]=NCCOCCNC(=O)CC(=O)NCCOCCN=[N+]=[N-]

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 3/20 0.38
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CA2 P00918 4/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ TTR P02766 1/20 0.32
▸ CA12 O43570 2/20 0.31
▸ CA1 P00915 2/20 0.31
▸ CA4 P22748 2/20 0.31
▸ CA14 Q9ULX7 2/20 0.31
▸ MGMT P16455 1/20 0.31
▸ LMNA P02545 1/20 0.30

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
SCHEMBL17282361 0.89 CRBN (0.41) CRBNMEN1KMT2ACA2CA9
SCHEMBL18886281 0.89 CRBN (0.41) CRBNMEN1KMT2ACA2CA9
SCHEMBL14922169 0.88 CRBN (0.38) CRBNMEN1KMT2ACA2CA9
SCHEMBL31174135 0.88 CRBN (0.38) CRBNMEN1KMT2ACA2CA9
SCHEMBL29787158 0.88 CRBN (0.38) CRBNMEN1KMT2ACA2CA9
SCHEMBL24795789 0.88 CRBN (0.38) CRBNMEN1KMT2ACA2CA9
SCHEMBL18886307 0.88 CRBN (0.38) CRBNMEN1KMT2ACA2CA9
SCHEMBL14922170 0.88 CRBN (0.38) CRBNMEN1KMT2ACA2CA9
SCHEMBL23234313 0.88 CRBN (0.38) CRBNMEN1KMT2ACA2CA9
SCHEMBL13695971 0.88 CRBN (0.38) CRBNMEN1KMT2ACA2CA9

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-9932331-B2 Phenyl tetrahydroisoquinoline compound substituted with heteroaryl TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-04-03 — — US disclosed
US-20170210736-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL TAISHO PHARMACEUTICAL CO., LTD (JP) 2017-07-27 — — 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-20170210736-A1 PHENYL TETRAHYDROISOQUINOLINE COMPOUND SUBSTITUTED WITH HETEROARYL NHERF1, SLC9A3, SLC26A3 CRBN 3846/4885MEN1 2007/4885KMT2A 1917/4885

“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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