SCHEMBL961086

SCHEMBL961086

CCOC(=O)c1cccc(-c2cccc(Sc3ccc(Cl)cc3Cl)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 5/20 0.44
LMNA P02545 3/20 0.44
GAA P10253 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.43
GABRA2 P47869 1/20 0.43
GABRB2 P47870 1/20 0.43
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CRHBP P24387 1/20 0.41

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
SCHEMBL957975 0.83 MRGPRX4 (0.51) MAPTLMNAGAAPOLBNPC1
SCHEMBL960460 0.78 FYN (0.50) POLBHPGDCRHBPCRHR2
SCHEMBL958637 0.77 BRAF (0.48) MAPTLMNAGABRA2GABRB2POLB
SCHEMBL961208 0.76 CNR1 (0.49) LMNAGABRA2GABRB2POLBHPGD
SCHEMBL1513225 0.74 GABRA2 (0.54) GABRA2GABRB2SMN1; SMN2ALDH1A1
SCHEMBL1513367 0.73 GABRA2 (0.48) MAPTGABRA2GABRB2POLBALDH1A1
SCHEMBL12812376 0.73 CYP1A2 (0.54) POLBRAB9AHPGD
SCHEMBL1513185 0.73 LMNA (0.44) MAPTLMNAGABRA2GABRB2POLB
SCHEMBL4901644 0.72 TP53 (0.50) MAPTLMNAPOLBNPC1RAB9A
SCHEMBL1513187 0.72 GABRA2 (0.47) MAPTGABRA2GABRB2

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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
EP-2253618-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING Takeda Pharmaceutical Company Limited (JP) 2010-11-24 EP 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-20110009421-A1 COMPOUND HAVING 6-MEMBERED AROMATIC RING GPR4, NR3C2, NR5A2 TDP1 4723/4885MAPT 4154/4885LMNA 4498/4885

“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.