SCHEMBL14729755

SCHEMBL14729755

FC(F)(F)Oc1ccc(-c2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.43
FAAH O00519 3/20 0.43
SCN10A Q9Y5Y9 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ACP1 P24666 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40

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
SCHEMBL14729653 0.88 ATR (0.43) MEN1KMT2ASMN1; SMN2MRGPRX4ALDH1A1
SCHEMBL14729707 0.84 SQOR (0.51) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL14729677 0.83 SMN1; SMN2 (0.45) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL14729701 0.82 MEN1 (0.46) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL22315060 0.81 SCN10A (0.47) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL14729734 0.80 CNR1 (0.47) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL14719573 0.80 FFAR1 (0.47) MRGPRX4SCN10ARXRARXRBRXRG
SCHEMBL14729656 0.79 MRGPRX4 (0.45) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL14729696 0.78 MAOB (0.43) MEN1NPC1POLBRAB9AKMT2A
SCHEMBL22314933 0.78 ADORA2A (0.46) MEN1NPC1POLBRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130052281-A1 NOVEL COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 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-20130052281-A1 NOVEL COMPOUNDS ABCG2, F12, UGT1A1 MEN1 643/4885NPC1 76/4885POLB 4643/4885

“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.