SCHEMBL9959870

SCHEMBL9959870

CN1CCN(C(c2ccccn2)c2ccc3cccnc3c2O)CC1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 5/20 0.76
LMNA P02545 5/20 0.76
TP53 P04637 4/20 0.76
ALOX15 P16050 4/20 0.76
PPP1CA P62136 4/20 0.76
L3MBTL1 Q9Y468 3/20 0.76
HSD17B10 Q99714 2/20 0.76
ALDH1A1 P00352 7/20 0.69
HTT P42858 5/20 0.69
KMT2A Q03164 4/20 0.69
MAPK1 P28482 3/20 0.69
ESR2 Q92731 3/20 0.69
MEN1 O00255 2/20 0.69
KDM4E B2RXH2 7/20 0.67
MAPT P10636 7/20 0.67
HSP90AA1 P07900 3/20 0.67
NPSR1 Q6W5P4 4/20 0.57
TDP1 Q9NUW8 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
S1PR4 O95977 1/20 0.57

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
SCHEMBL9960186 0.88 PPP1CA (0.79) ALOX12LMNATP53ALOX15PPP1CA
SCHEMBL11955259 0.87 ALDH1A1 (0.70) ALOX12LMNATP53ALOX15PPP1CA
SCHEMBL1240684 0.86 ALOX12 (0.72) ALOX12LMNATP53ALOX15PPP1CA
SCHEMBL1240241 0.86 LMNA (1.00) ALOX12LMNATP53ALOX15PPP1CA
SCHEMBL30253829 0.86 LMNA (1.00) ALOX12LMNATP53ALOX15PPP1CA
SCHEMBL16696588 0.84 KMT2A (0.80) ALOX12LMNATP53ALOX15PPP1CA
SCHEMBL11896314 0.84 ALOX12 (0.69) ALOX12LMNATP53ALOX15PPP1CA
SCHEMBL12906701 0.83 ALOX12 (0.65) ALOX12LMNATP53ALOX15PPP1CA
SCHEMBL1240900 0.82 ALDH1A1 (0.74) ALOX12LMNATP53ALOX15PPP1CA
SCHEMBL11955277 0.82 PPP1CA (0.70) ALOX12LMNATP53ALOX15PPP1CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073858-B2 Methods of targeted drug development Errico, Joseph P. (US) 2015-07-07 US disclosed
US-9073858-B2 Methods of targeted drug development Errico, Joseph P. (US) 2015-07-07 US disclosed
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-07-10 US disclosed
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-07-10 US disclosed
US-20140163069-A1 COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-12 US disclosed
US-20140163069-A1 COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-12 US disclosed
US-20120196853-A1 Novel Quinoline-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-02 US disclosed
US-20120196853-A1 Novel Quinoline-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-02 US disclosed
US-20120196853-A1 Novel Quinoline-Hepcidine Antagonists VIFOR (INTERNATIONAL) AG (CH) 2012-08-02 US disclosed
EP-2467361-A1 NOVEL QUINOLINE-HEPCIDINE ANTAGONISTS VIFOR (INTERNATIONAL) AG (CH) 2012-06-27 EP disclosed
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2011-12-08 US disclosed
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2011-12-08 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 (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-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 ALOX12 3344/4885LMNA 2183/4885TP53 230/4885
US-20140163069-A1 COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 ALOX12 3643/4885LMNA 3143/4885TP53 95/4885
US-20120196853-A1 Novel Quinoline-Hepcidine Antagonists HAMP, SLC40A1, FTH1 ALOX12 251/4885LMNA 3466/4885TP53 4470/4885
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB4 ALOX12 3694/4885LMNA 3447/4885TP53 192/4885

“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.