SCHEMBL4316802

SCHEMBL4316802

Brc1ccc(-c2cc(-c3cccnc3)no2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.59
TP53 P04637 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CYP2C9 P11712 6/20 0.55
CYP2C19 P33261 6/20 0.55
CYP3A4 P08684 5/20 0.55
CYP1A2 P05177 4/20 0.55
CYP2D6 P10635 4/20 0.55
CYP19A1 P11511 1/20 0.55
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
CYP2E1 P05181 1/20 0.54
CYP2A6 P11509 1/20 0.54
CYP2B6 P20813 1/20 0.54
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50

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
SCHEMBL4322525 0.89 RAB9A (0.70) MAPTTP53CYP2C9CYP2C19CYP3A4
SCHEMBL4318440 0.89 CYP3A4 (0.62) TP53CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL4322419 0.86 NPC1 (0.69) TP53CYP2C9CYP2C19CYP3A4CYP1A2
SCHEMBL4316607 0.86 NPC1 (0.69) MAPTTP53L3MBTL1CYP2C9CYP2C19
SCHEMBL4316626 0.86 CYP2C19 (0.64) CYP2C9CYP2C19CYP3A4CYP1A2CYP2D6
SCHEMBL4319873 0.84 CHRNB2 (0.63) CYP2C9CYP2C19CYP3A4CYP1A2CYP2D6
SCHEMBL4325945 0.82 CYP3A4 (0.66) CYP2C9CYP2C19CYP3A4CYP1A2CYP2D6
SCHEMBL7439823 0.82 NPC1 (0.70) MAPTTP53CYP2C9CYP2C19CYP3A4
SCHEMBL4324241 0.82 NPC1 (0.50) MAPTTP53L3MBTL1CYP2C9CYP2C19
SCHEMBL4315894 0.82 CYP2C19 (0.51) MAPTTP53L3MBTL1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306096-A1 Novel Isoxazoles and Methods of Use Thereof ABBOTT LABORATORIES (US) 2009-12-10 US claimed
WO-2009149135-A1 BIS (HETERO ) ARYL SUBSTITUTED ISOXAZOLES FOR USE AS NEURONAL NICOTINIC RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2009-12-10 WO claimed
US-8383658-B2 Isoxazole based neuronal nicotinic receptor ligands and methods of use ABBOTT LABORATORIES (US) 2013-02-26 US disclosed
US-20090306096-A1 Novel Isoxazoles and Methods of Use Thereof ABBOTT LABORATORIES (US) 2009-12-10 US disclosed
WO-2009149135-A1 BIS (HETERO ) ARYL SUBSTITUTED ISOXAZOLES FOR USE AS NEURONAL NICOTINIC RECEPTOR MODULATORS ABBOTT LABORATORIES (US) 2009-12-10 WO 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-20090306096-A1 Novel Isoxazoles and Methods of Use Thereof XDH, PRDX5, CYP4X1 MAPT 2896/4885TP53 4606/4885L3MBTL1 4403/4885

“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.