SCHEMBL14984177

SCHEMBL14984177

CN(C)c1ccc(/C=C/C=C/c2sc3ccccc3[n+]2C)cc1

nearest known ligand 0.90

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NSD2 O96028 2/20 0.90
▸ MAPT P10636 2/20 0.90
▸ MAPK1 P28482 2/20 0.90
▸ HTT P42858 2/20 0.90
▸ RAB9A P51151 2/20 0.90
▸ NPSR1 Q6W5P4 2/20 0.90
▸ L3MBTL1 Q9Y468 2/20 0.90
▸ POLB P06746 1/20 0.90
▸ INSR P06213 17/20 0.84
▸ APP P05067 1/20 0.73
▸ NPC1 O15118 1/20 0.67
▸ THRB P10828 1/20 0.67
▸ PKM P14618 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ RXFP1 Q9HBX9 1/20 0.67

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
SCHEMBL14984211 0.92 INSR (1.00) NSD2MAPTMAPK1HTTRAB9A
Iodide SCHEMBL8387880 0.90 INSR (0.97) NSD2MAPTMAPK1HTTRAB9A
Iodide SCHEMBL8387879 0.90 INSR (0.97) NSD2MAPTMAPK1HTTRAB9A
Hydrochloric Acid SCHEMBL8386848 0.90 INSR (0.97) NSD2MAPTMAPK1HTTRAB9A
Hydrochloric Acid SCHEMBL8386851 0.90 INSR (0.97) NSD2MAPTMAPK1HTTRAB9A
SCHEMBL2442132 0.84 APP (1.00) NSD2MAPTMAPK1HTTRAB9A
SCHEMBL2442135 0.84 APP (1.00) NSD2MAPTMAPK1HTTRAB9A
SCHEMBL29409742 0.83 APP (0.98) NSD2MAPTMAPK1HTTRAB9A
SCHEMBL17026625 0.83 APP (0.98) NSD2MAPTMAPK1HTTRAB9A
SCHEMBL17026626 0.83 APP (0.98) NSD2MAPTMAPK1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170056378-A1 METHOD OF INHIBITING CANCER CELL, METHOD FOR DETECTING CANCER CELL, AND SYSTEM FOR DETECTING CANCER CELL CANON KK (JP) 2017-03-02 — — US disclosed
US-20160280921-A1 DYES FOR ANALYSIS OF PROTEIN AGGREGATION ENZO LIFE SCIENCES, INC. (US) 2016-09-29 — — US disclosed
US-20150274715-A1 CANCER CELL INHIBITORY DRUG AND CANCER STEM-CELL DETECTION PROBE CANON KABUSHIKI KAISHA (JP) 2015-10-01 — — US disclosed
US-20130137112-A1 DYES FOR ANALYSIS OF PROTEIN AGGREGATION ENZO LIFE SCIENCES, INC. 2013-05-30 — — 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 (3 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-20130137112-A1 DYES FOR ANALYSIS OF PROTEIN AGGREGATION CRYAA, CRYAB, HSPH1 NSD2 4349/4885MAPT 17/4885MAPK1 2936/4885
US-20170056378-A1 METHOD OF INHIBITING CANCER CELL, METHOD FOR DETECTING CANCER CELL, AND SYSTEM FOR DETECTING CANCER CELL MKI67, MCL1, ABCB1 NSD2 3706/4885MAPT 4669/4885MAPK1 1037/4885
US-20150274715-A1 CANCER CELL INHIBITORY DRUG AND CANCER STEM-CELL DETECTION PROBE MKI67, CD44, ABCB1 NSD2 3373/4885MAPT 4340/4885MAPK1 602/4885

“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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