SCHEMBL4130113

SCHEMBL4130113

COc1cc(Br)c2oc(C(C)=O)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
RECQL P46063 1/20 0.51
PIM1 P11309 1/20 0.47
MAOB P27338 6/20 0.46
MAOA P21397 2/20 0.46
F2RL3 Q96RI0 2/20 0.44
SLC22A12 Q96S37 1/20 0.42
ALDH1A1 P00352 6/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 2/20 0.38
HPGD P15428 2/20 0.38
GLA P06280 1/20 0.38
CASP1 P29466 1/20 0.38

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
SCHEMBL11746052 0.87 PIM1 (0.61) LMNAPIM1MAOBMAOAF2RL3
SCHEMBL5829219 0.86 PIM1 (0.46) LMNAPIM1MAOBMAOAF2RL3
SCHEMBL15349800 0.84 LMNA (0.55) LMNARECQLPIM1MAOASLC22A12
SCHEMBL22960809 0.84 LMNA (0.63) LMNARECQLPIM1ALDH1A1MAPT
SCHEMBL16710650 0.83 PIM1 (0.43) LMNARECQLPIM1MAOBMAOA
SCHEMBL931094 0.83 MAOB (0.45) LMNAPIM1MAOBMAOAF2RL3
SCHEMBL16795821 0.81 MAOB (0.64) LMNARECQLPIM1MAOBMAOA
SCHEMBL21230504 0.81 MAOB (0.50) LMNAPIM1MAOBMAOAF2RL3
SCHEMBL16048863 0.80 MAOB (0.46) LMNARECQLPIM1MAOBMAOA
SCHEMBL7380636 0.76 PIM1 (0.78) LMNARECQLPIM1MAOBF2RL3

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-7511145-B2 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. (US) 2009-03-31 US disclosed
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES GENELABS TECHNOLOGIES, INC. 2009-03-26 US disclosed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP disclosed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US disclosed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 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 (2 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-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 LMNA 1546/4885RECQL 589/4885PIM1 3397/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 LMNA 1546/4885RECQL 589/4885PIM1 3397/4885

“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.