SCHEMBL2008332

SCHEMBL2008332

CC1=Nc2ccc(CN)cc2C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NOS1 P29475 6/20 0.33
NOS2 P35228 6/20 0.33
NOS3 P29474 4/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
PNMT P11086 1/20 0.32
LOXL2 Q9Y4K0 3/20 0.32
LOX P28300 2/20 0.32
LOXL3 P58215 1/20 0.31
ATM Q13315 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
ROCK1 Q13464 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
SCHEMBL11580037 0.84 KMT2A (0.37) MEN1KMT2ANOS1NOS2NOS3
SCHEMBL11581329 0.81 MEN1 (0.38) MEN1KMT2A
SCHEMBL8390740 0.81 CA2 (0.40) MEN1KMT2AALDH1A1CYP3A4NFKB1
SCHEMBL29836971 0.79 SKP2 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL665154 0.77 MEN1 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2CYP3A4
SCHEMBL8390737 0.76 MEN1 (0.32) MEN1KMT2A
SCHEMBL9615157 0.76 SKP2 (0.41) ALDH1A1CYP3A4
SCHEMBL38660687 0.76 TDP1 (0.41) MEN1KMT2ANOS1NOS2NOS3
SCHEMBL317019 0.73 MEN1 (0.39) MEN1KMT2ANOS1NOS2NOS3
SCHEMBL31142510 0.73 MEN1 (0.39) MEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110294118-A1 WATER SOLUBLE FLUORESCENT COMPOUNDS BIOSEARCH TECHNOLOGIES, INC. (US) 2011-12-01 US disclosed
US-20110294118-A1 WATER SOLUBLE FLUORESCENT COMPOUNDS BIOSEARCH TECHNOLOGIES, INC. (US) 2011-12-01 US disclosed
US-7964361-B2 Rigidized trimethine cyanine dyes CARNEGIE MELLON UNIVERSITY (US) 2011-06-21 US disclosed
US-7868157-B2 low non-specific binding, photostable, ease of chemical modification to permit tuning of absorption and emission wavelengths and resistance to the formation of dimers; 1-(5-carboxy-pentyl)-2-[5-(1-ethyl-3,3-dimethyl-5-phosphono-1,3-dihydro-indol-2-ylidene)-penta-1,3-dienyl]-3,3-dimethyl-3H-indolium BIOSEARCH TECHNOLOGIES, INC. (US) 2011-01-11 US disclosed
US-7868157-B2 low non-specific binding, photostable, ease of chemical modification to permit tuning of absorption and emission wavelengths and resistance to the formation of dimers; 1-(5-carboxy-pentyl)-2-[5-(1-ethyl-3,3-dimethyl-5-phosphono-1,3-dihydro-indol-2-ylidene)-penta-1,3-dienyl]-3,3-dimethyl-3H-indolium BIOSEARCH TECHNOLOGIES, INC. (US) 2011-01-11 US disclosed
US-7868157-B2 low non-specific binding, photostable, ease of chemical modification to permit tuning of absorption and emission wavelengths and resistance to the formation of dimers; 1-(5-carboxy-pentyl)-2-[5-(1-ethyl-3,3-dimethyl-5-phosphono-1,3-dihydro-indol-2-ylidene)-penta-1,3-dienyl]-3,3-dimethyl-3H-indolium BIOSEARCH TECHNOLOGIES, INC. (US) 2011-01-11 US disclosed
US-20090281279-A1 Rigidized trimethine cyanine dyes CARNEGIE MELLON UNIVERSITY (US) 2009-11-12 US disclosed
US-7408062-B2 Rigidized trimethine cyanine dyes CARNEGIE MELLON UNIVERSITY (US) 2008-08-05 US disclosed
US-20070243527-A9 RIGIDIZED TRIMETHINE CYANINE DYES CARNEGIE MELLON UNIVERSITY 2007-10-18 US disclosed
US-20070021621-A1 Water soluble fluorescent compounds BIOSEARCH TECHNOLOGIES, INC. (US) 2007-01-25 US disclosed
US-20070021621-A1 Water soluble fluorescent compounds BIOSEARCH TECHNOLOGIES, INC. (US) 2007-01-25 US disclosed
US-20070021621-A1 Water soluble fluorescent compounds BIOSEARCH TECHNOLOGIES, INC. (US) 2007-01-25 US disclosed
US-6686145-B1 IMPARTING FLUORESCENT PROPERTIES TO TARGET MATERIALS BY COVALENT AND NONCOVALENT ASSOCIATION CARNEGIE MELLON UNIVERSITY 2004-02-03 US disclosed
US-20030224391-A1 Rigidized trimethine cyanine dyes CARNEGIE MELLON UNIVERSITY 2003-12-04 US disclosed
EP-1042407-B1 RIGIDIZED TRIMETHINE CYANINE DYES UNIV CARNEGIE MELLON (US) 2001-09-12 EP disclosed
US-6133445-A USEFUL FOR IMPARTING FLUORESCENT PROPERTIES TO TARGET MATERIALS CARNEGIE MELLON UNIVERSITY (US) 2000-10-17 US disclosed
EP-1042407-A1 RIGIDIZED TRIMETHINE CYANINE DYES CARNEGIE-MELLON UNIVERSITY (US) 2000-10-11 EP disclosed
WO-1999031181-A1 RIGIDIZED TRIMETHINE CYANINE DYES CARNEGIE MELLON UNIVERSITY (US) 1999-06-24 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 (5 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-20070243527-A9 RIGIDIZED TRIMETHINE CYANINE DYES SIGMAR1, CBR1, NR0B1 MEN1 3950/4885KMT2A 971/4885NOS1 383/4885
US-20110294118-A1 WATER SOLUBLE FLUORESCENT COMPOUNDS ABCG2, AQP1, AQP3 MEN1 2465/4885KMT2A 3963/4885NOS1 1062/4885
US-20090281279-A1 Rigidized trimethine cyanine dyes CD47, TLN1, TPM4 MEN1 3776/4885KMT2A 859/4885NOS1 840/4885
US-20030224391-A1 Rigidized trimethine cyanine dyes CBR1, TH, CBR3 MEN1 4371/4885KMT2A 769/4885NOS1 88/4885
US-20070021621-A1 Water soluble fluorescent compounds ABCG2, AQP1, AQP3 MEN1 2465/4885KMT2A 3963/4885NOS1 1062/4885

“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.