SCHEMBL13836628

SCHEMBL13836628

Oc1c(C(Nc2ccccn2)c2ccccc2F)ccc2cccnc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HB P07237 8/20 1.00
TP53 P04637 6/20 1.00
MAPT P10636 5/20 1.00
USP2 O75604 2/20 1.00
LMNA P02545 2/20 1.00
THRB P10828 1/20 1.00
SMN1; SMN2 Q16637 3/20 0.77
MDM2 Q00987 2/20 0.75
JMJD7 P0C870 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C9 P11712 1/20 0.72
CYP2C19 P33261 1/20 0.72
HIF1A Q16665 1/20 0.72
HSD17B10 Q99714 1/20 0.72
KDM4E B2RXH2 1/20 0.72
ALOX15 P16050 1/20 0.72
NFKB1 P19838 1/20 0.72
MAPK1 P28482 1/20 0.72
HTT P42858 1/20 0.72
PPP1CA P62136 1/20 0.72

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
SCHEMBL9965634 0.90 P4HB (0.81) P4HBTP53MAPTUSP2LMNA
SCHEMBL21842219 0.89 P4HB (0.80) P4HBTP53MAPTUSP2LMNA
SCHEMBL15783201 0.88 P4HB (0.81) P4HBTP53MAPTUSP2LMNA
SCHEMBL21842223 0.88 MDM2 (0.82) P4HBTP53MAPTUSP2LMNA
SCHEMBL15781899 0.88 P4HB (0.79) P4HBTP53MAPTUSP2LMNA
SCHEMBL15783093 0.88 MAPT (0.80) P4HBTP53MAPTUSP2LMNA
SCHEMBL1542099 0.87 MAPT (0.80) P4HBTP53MAPTUSP2LMNA
SCHEMBL21842430 0.87 P4HB (0.81) P4HBTP53MAPTUSP2LMNA
SCHEMBL15783147 0.87 P4HB (1.00) P4HBTP53MAPTUSP2LMNA
SCHEMBL9965547 0.86 P4HB (0.75) P4HBTP53MAPTUSP2LMNA

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 5 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-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-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS Zacharon Pharmaceutical, Inc. (US) 2012-11-22 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 P4HB 2320/4885TP53 230/4885MAPT 1076/4885
US-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS CSGALNACT1, FUT5, ST3GAL3 P4HB 590/4885TP53 3840/4885MAPT 4328/4885
US-20140163069-A1 COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 P4HB 2500/4885TP53 95/4885MAPT 1268/4885
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB4 P4HB 2095/4885TP53 192/4885MAPT 1499/4885

“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.