SCHEMBL171207

SCHEMBL171207

CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.79
MEN1 O00255 5/20 0.79
KMT2A Q03164 5/20 0.79
THRB P10828 4/20 0.79
MAPK1 P28482 4/20 0.79
HIF1A Q16665 3/20 0.79
HTT P42858 3/20 0.79
TP53 P04637 3/20 0.79
CYP3A4 P08684 3/20 0.79
SMN1; SMN2 Q16637 3/20 0.79
MAPT P10636 3/20 0.79
ALOX12 P18054 2/20 0.79
RECQL P46063 2/20 0.79
BLM P54132 2/20 0.79
CYP2D6 P10635 2/20 0.79
HDAC6 Q9UBN7 2/20 0.79
KDM4E B2RXH2 1/20 0.79
USP2 O75604 1/20 0.79
EGFR P00533 1/20 0.79
F2 P00734 1/20 0.79

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
Hydrochloric Acid SCHEMBL2053249 0.98 TDP1 (0.82) TDP1MEN1KMT2ATHRBMAPK1
Iodide SCHEMBL31635600 0.98 TDP1 (0.77) TDP1MEN1KMT2ATHRBMAPK1
Hexamethyl Pararosaniline SCHEMBL94116 0.91 TDP1 (0.96) TDP1MEN1KMT2ATHRBMAPK1
Hexamethyl Pararosaniline SCHEMBL9171 0.89 TDP1 (1.00) TDP1MEN1KMT2ATHRBMAPK1
Brilliant Green SCHEMBL171205 0.88 TDP1 (0.84) TDP1MEN1KMT2ATHRBMAPK1
Brilliant Green SCHEMBL28216 0.86 TDP1 (0.88) TDP1MEN1KMT2ATHRBMAPK1
SCHEMBL4657906 0.86 MAPK1 (0.63) TDP1MEN1KMT2ATHRBMAPK1
Brilliant Green SCHEMBL28515271 0.86 MEN1 (0.90) TDP1MEN1KMT2ATHRBMAPK1
Brilliant Green SCHEMBL29379377 0.86 MEN1 (0.85) TDP1MEN1KMT2ATHRBMAPK1
SCHEMBL13998438 0.85 MEN1 (0.66) TDP1MEN1KMT2ATHRBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9995679-B2 Targeted probes of cellular physiology CARNEGIE MELLON UNIVERSITY (US) 2018-06-12 US disclosed
US-9688743-B2 Optical biosensors CARNEGIE MELLON UNIVERSITY (US) 2017-06-27 US disclosed
US-9249306-B2 Quenched dendrimeric dyes for florescence detection CARNEGIE MELLON UNIVERSITY (US) 2016-02-02 US disclosed
US-20140193830-A1 OPTICAL BIOSENSORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2014-07-10 US disclosed
US-20130244891-A1 TARGETED PROBES OF CELLULAR PHYSIOLOGY CARNEGIE MELLON UNIVERSITY (US) 2013-09-19 US disclosed
US-20120058494-A1 Quenched Dendrimeric Dyes for Florescence Detection CARNEGIE MELLON UNIVERSITY (US) 2012-03-08 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 (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-20130244891-A1 TARGETED PROBES OF CELLULAR PHYSIOLOGY GLS, PCK1, NME4 TDP1 1532/4885MEN1 1771/4885KMT2A 4659/4885
US-20120058494-A1 Quenched Dendrimeric Dyes for Florescence Detection FAP, APC, ANXA6 TDP1 1636/4885MEN1 774/4885KMT2A 4644/4885
US-20140193830-A1 OPTICAL BIOSENSORS NCS1, MCU, LPO TDP1 665/4885MEN1 3735/4885KMT2A 4625/4885

“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.