SCHEMBL4125923

SCHEMBL4125923

COc1cc(Br)c2o[c]cc2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.40
MAOA P21397 1/20 0.40
F2RL3 Q96RI0 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
HSD17B1 P14061 1/20 0.32
HSD17B2 P37059 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL28502229 0.81 CA12 (0.36) MAOBALDH1A1CYP1A1CYP1B1CYP1A2
SCHEMBL7972471 0.80 ALDH1A1 (0.34) ALDH1A1CYP1A1CYP1B1HSD17B1HSD17B2
SCHEMBL16048210 0.75
SCHEMBL767197 0.73 PIM1 (0.46) MAOBF2RL3ALDH1A1CYP1A2MEN1
SCHEMBL4984623 0.68 MAOA (0.42) MAOBMAOAALDH1A1CYP1A1CYP1B1
SCHEMBL533282 0.68 CYP2A6 (0.47) MAOBALDH1A1HSD17B1HSD17B2CYP1A2
SCHEMBL13202363 0.68 MAOB (0.51) MAOBMAOAF2RL3ALDH1A1CYP1A1
SCHEMBL766977 0.67 HTR2A (0.31)
SCHEMBL767050 0.66 ERN1 (0.34) ALDH1A1MEN1KMT2A
SCHEMBL6840673 0.65 PTGS1 (0.43) MAOBMAOAALDH1A1CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US claimed
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
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 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 (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 MAOB 660/4885MAOA 1060/4885F2RL3 1016/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 MAOB 660/4885MAOA 1060/4885F2RL3 1016/4885

“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.