SCHEMBL13901645

SCHEMBL13901645

O=C(Nc1cccc(C(F)(F)F)c1)c1nc(C(Cl)(Cl)Cl)n(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.48
TSHR P16473 1/20 0.48
USP2 O75604 1/20 0.48
HTT P42858 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
EPAS1 Q99814 1/20 0.46
AKR1C3 P42330 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
DHODH Q02127 1/20 0.46
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL10733025 0.91 NPY5R (0.56) NPY5RTSHRUSP2MAPTKMT2A
SCHEMBL13901636 0.88 POLB (0.50) NPY5RHTTRXFP1MAPTALDH1A1
SCHEMBL13901639 0.86 TP53 (0.49) NPY5RHTTRXFP1MAPTALDH1A1
SCHEMBL13901649 0.81 TP53 (0.45) TSHRHTTMAPTALDH1A1NPSR1
SCHEMBL13901607 0.80 CYP2C19 (0.41) MAPTALDH1A1NPSR1L3MBTL1MEN1
SCHEMBL4015298 0.79 CNR1 (0.43) MAPTALDH1A1LMNAKDR
SCHEMBL13901647 0.78 RAB9A (0.48) HTTMAPTALDH1A1NPSR1MEN1
SCHEMBL13901666 0.78 S1PR1 (0.46)
SCHEMBL13901643 0.76 MAPT (0.48) TSHRRXFP1MAPTALDH1A1NPSR1
SCHEMBL10730944 0.75 KMT2A (0.67) NPY5RKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 US disclosed
US-20090069288-A1 Novel therapeutic compounds ABBVIE INC. 2009-03-12 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-20090069288-A1 Novel therapeutic compounds MAP3K20, RPS6KB1, MAP3K1 NPY5R 4771/4885TSHR 4278/4885USP2 3793/4885

“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.