SCHEMBL4125826

SCHEMBL4125826

CC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)no1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.47
MME P08473 1/20 0.47
MAPT P10636 2/20 0.46
ABL1 P00519 1/20 0.45
KMO O15229 5/20 0.44
RAB9A P51151 8/20 0.44
NPC1 O15118 7/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 3/20 0.44
LMNA P02545 2/20 0.44
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL1574756 0.84 SMN1; SMN2 (0.59) NOTUMMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL3820935 0.81 MME (0.47) NOTUMMMEKMORAB9ANPC1
SCHEMBL14814448 0.78 MEN1 (0.56) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL4805 0.77 RAB9A (0.69) NOTUMMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL23930594 0.76 RAB9A (0.50) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL9373896 0.75 SMN1; SMN2 (0.47) MAPTRAB9ANPC1SMN1; SMN2CYP1A2
SCHEMBL13692212 0.75 AHR (0.46) NOTUMMAPTKMORAB9ANPC1
SCHEMBL20507158 0.74 MEN1 (0.49) MAPTKMORAB9ASMN1; SMN2LMNA
SCHEMBL26247539 0.74 USP30 (0.51) RAB9ANPC1SMN1; SMN2
SCHEMBL3221069 0.73 L3MBTL1 (0.48) NOTUMMMEMAPTKMORAB9A

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 NOTUM 1088/4885MME 1702/4885MAPT 2748/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 NOTUM 1088/4885MME 1702/4885MAPT 2748/4885

“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.