SCHEMBL340370

SCHEMBL340370

CN1CCN(c2ccc3[nH]c(-c4ccc5[nH]c(-c6ccc(I)cc6)nc5c4)nc3c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
TOP1 P11387 3/20 0.61
TOP2A P11388 3/20 0.61
HPGD P15428 1/20 0.61
HSD17B10 Q99714 1/20 0.61
MAPT P10636 3/20 0.56
MEN1 O00255 2/20 0.56
BLM P54132 2/20 0.56
KMT2A Q03164 2/20 0.56
SLCO2B1 O94956 1/20 0.56
GLA P06280 1/20 0.56
RECQL P46063 1/20 0.56
BCL2L1 Q07817 1/20 0.56
SLCO1B3 Q9NPD5 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
SLCO1B1 Q9Y6L6 1/20 0.56
TERT O14746 4/20 0.55
DGAT1 O75907 1/20 0.54
SOAT1 P35610 1/20 0.54

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
SCHEMBL20768152 0.89 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL19484925 0.89 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
Hoechst 33258 SCHEMBL617906 0.88 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
Hoechst 33258 SCHEMBL29350619 0.88 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL26252732 0.88 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL3171446 0.88 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
SCHEMBL21017604 0.87 DGAT1 (0.63) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
Hoechst 33258 SCHEMBL21847754 0.87 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
Hoechst 33258 SCHEMBL1439775 0.87 TOP1 (0.79) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD
Hoechst 33258 SCHEMBL5682613 0.86 TOP1 (0.78) ALDH1A1SMN1; SMN2TOP1TOP2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723139-B1 CELL TARGETING CONJUGATES PETER MACCALLUM CANCER INST (AU) 2014-01-01 EP disclosed
US-8389745-B2 Phosphonate fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2013-03-05 US disclosed
US-8389745-B2 Phosphonate fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2013-03-05 US disclosed
US-20120116079-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES ELITECHGROUP MDX LLC 2012-05-10 US disclosed
US-20120116079-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES ELITECHGROUP MDX LLC 2012-05-10 US disclosed
US-8097238-B2 Cell targeting conjugates PETER MACCALLUM CANCER INSTITUTE (AU) 2012-01-17 US disclosed
US-8008522-B2 Phosphonate fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2011-08-30 US disclosed
US-8008522-B2 Phosphonate fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2011-08-30 US disclosed
US-20100261903-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES ELITECHGROUP MDX LLC 2010-10-14 US disclosed
US-20100261903-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES ELITECHGROUP MDX LLC 2010-10-14 US disclosed
US-7767834-B2 Phosphonylated fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2010-08-03 US disclosed
US-7767834-B2 Phosphonylated fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2010-08-03 US disclosed
US-7671218-B2 Phosphonate fluorescent dyes and conjugates Elitech Holdings B.V. (NL) 2010-03-02 US disclosed
US-7671218-B2 Phosphonate fluorescent dyes and conjugates Elitech Holdings B.V. (NL) 2010-03-02 US disclosed
US-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2008-08-28 US disclosed
US-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES EPOCH BIOSCIENCES, INC. (US) 2008-08-28 US disclosed
US-20070172832-A1 Phosphonate fluorescent dyes and conjugates EPOCH BIOSCIENCES, INC. (US) 2007-07-26 US disclosed
US-20070172832-A1 Phosphonate fluorescent dyes and conjugates EPOCH BIOSCIENCES, INC. (US) 2007-07-26 US disclosed
US-20070140970-A1 Cell targeting conjugates PETER MACCALLUM CANCER INSTITUTE 2007-06-21 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 (4 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-20100261903-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES PHOSPHO1, PFAS, PHPT1 ALDH1A1 946/4885SMN1; SMN2 4028/4885TOP1 817/4885
US-20080207887-A1 PHOSPHONYLATED FLUORESCENT DYES AND CONJUGATES PHOSPHO1, PFAS, PHPT1 ALDH1A1 1457/4885SMN1; SMN2 4304/4885TOP1 916/4885
US-20070140970-A1 Cell targeting conjugates CD47, CD74, CD2 ALDH1A1 1727/4885SMN1; SMN2 3773/4885TOP1 158/4885
US-20070172832-A1 Phosphonate fluorescent dyes and conjugates PHOSPHO1, PFAS, PHPT1 ALDH1A1 946/4885SMN1; SMN2 4028/4885TOP1 817/4885

“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.