SCHEMBL13901640

SCHEMBL13901640

COc1cccc(NC(=O)c2nc(C(Cl)(Cl)Cl)n(-c3ccc(Cl)c(Cl)c3)n2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TP53 P04637 1/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
LMNA P02545 1/20 0.49
HIF1A Q16665 1/20 0.49
POLB P06746 2/20 0.49
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
KDR P35968 1/20 0.46
GRM4 Q14833 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
TLR9 Q9NR96 1/20 0.44

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
SCHEMBL13901639 0.87 TP53 (0.49) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL13901636 0.87 POLB (0.50) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL13901645 0.83 NPY5R (0.48) MEN1KMT2ATP53MAPTALDH1A1
SCHEMBL13901607 0.79 CYP2C19 (0.41) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL4015298 0.78 CNR1 (0.43) MAPTALDH1A1HPGDLMNAPOLB
SCHEMBL13901647 0.78 RAB9A (0.48) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL13901643 0.77 MAPT (0.48) RAB9AMEN1KMT2ANPC1SMN1; SMN2
SCHEMBL13901666 0.77 S1PR1 (0.46)
SCHEMBL4015965 0.74 RPA1 (0.41) RAB9ANPC1MAPTALDH1A1KDM4E
SCHEMBL13901651 0.74 IL2 (0.42) MEN1KMT2AMAPTALDH1A1HPGD

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 RAB9A 1496/4885MEN1 3233/4885KMT2A 3833/4885

“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.