SCHEMBL3979548

SCHEMBL3979548

COC(=O)c1cc(C(=O)c2c(-c3ccc(Br)cc3)noc2C)cn1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.53
P2RY12 Q9H244 1/20 0.48
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 2/20 0.41
TSHR P16473 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 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
SCHEMBL14034637 0.89 P2RY12 (0.48) RAB9AP2RY12CYP1A2CYP2C19TP53
SCHEMBL3976845 0.89 KMT2A (0.45) RAB9AP2RY12MAPTALDH1A1KMT2A
SCHEMBL3981470 0.82 RAB9A (0.48) RAB9ATP53MAPTALDH1A1KMT2A
SCHEMBL3979026 0.82 TRPV1 (0.45) RAB9AP2RY12TP53ALDH1A1KMT2A
SCHEMBL13842556 0.81 GABRA5 (0.45) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL3978337 0.78 KMT2A (0.54) P2RY12MAPTALDH1A1KMT2AMEN1
SCHEMBL3978223 0.78 RAB9A (0.53) RAB9ATP53MAPTALDH1A1KMT2A
SCHEMBL13844537 0.78 KMT2A (0.47) RAB9AMAPTALDH1A1KMT2AKDM4E
SCHEMBL3976772 0.78 GPBAR1 (0.46) P2RY12ALDH1A1KMT2AKDM4EMEN1
SCHEMBL3977714 0.78 CACNA1F (0.49) RAB9AP2RY12ALDH1A1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
US-7538132-B2 Isoxazolo derivatives HOFFMAN-LA ROCHE INC. (US) 2009-05-26 US disclosed
EP-1931661-B1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS HOFFMANN LA ROCHE (CH) 2008-11-19 EP disclosed
WO-2007039389-A1 ISOXAZOLO DERIVATIVES AS GABA A ALPHA5 INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 US disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 US disclosed
US-20070066668-A1 Isoxazolo derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-03-22 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-20070066668-A1 Isoxazolo derivatives GABRA5, GABRA4, GABRA1 RAB9A 1219/4885P2RY12 517/4885CYP1A2 401/4885

“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.