SCHEMBL3044775

SCHEMBL3044775

FC(F)(F)c1cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2cc1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
HCAR1 Q9BXC0 3/20 0.33
MEN1 O00255 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
PTPRC P08575 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
BACE1 P56817 1/20 0.31
HPGD P15428 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
HSD11B1 P28845 1/20 0.30
AURKA O14965 1/20 0.30
KDR P35968 1/20 0.30
AURKB Q96GD4 1/20 0.30
PLK1 P53350 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
SCHEMBL3048529 0.96 POLB (0.35) POLBHCAR1MEN1LMNAMAPT
SCHEMBL3040073 0.83 NPC1 (0.37) MEN1LMNAMAPTKMT2AALDH1A1
SCHEMBL3055002 0.83 PRPS1 (0.33) HCAR1HPGDNPC1RAB9A
SCHEMBL3044462 0.81 PRPS1 (0.33) HCAR1HPGDNPC1RAB9A
SCHEMBL3047128 0.81 NPC1 (0.37) MEN1LMNAMAPTKMT2AALDH1A1
SCHEMBL3054347 0.77 FGFR1 (0.47) HCAR1MEN1LMNAMAPTKMT2A
SCHEMBL3047157 0.76 AKR1C3 (0.40) POLBHCAR1MAPTALDH1A1
SCHEMBL3037362 0.76 NPC1 (0.39) HCAR1MEN1LMNAMAPTKMT2A
SCHEMBL29447536 0.76 NPC1 (0.39) HCAR1MEN1LMNAMAPTKMT2A
SCHEMBL3042174 0.76 NPC1 (0.41) MEN1LMNAMAPTKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US disclosed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US disclosed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 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 (1 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-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 POLB 4000/4885HCAR1 228/4885MEN1 4829/4885

“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.