SCHEMBL4129720

SCHEMBL4129720

CC1=NCc2ccc(-c3nc4cc(C(=O)NS(=O)(=O)c5ccccc5)ccc4n3C3CCCCC3)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
PTGER4 P35408 8/20 0.44
BCAT2 O15382 1/20 0.41
CYP3A4 P08684 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
TP53 P04637 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 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
SCHEMBL4126373 0.85 L3MBTL1 (0.60) L3MBTL1PTGER4CYP3A4HDAC6HDAC1
SCHEMBL4125831 0.82 L3MBTL1 (0.47) L3MBTL1PTGER4BCAT2CYP3A4HDAC6
SCHEMBL13905099 0.81 L3MBTL1 (0.46) L3MBTL1PTGER4BCAT2CYP3A4HDAC6
SCHEMBL4117565 0.80 L3MBTL1 (0.45) L3MBTL1PTGER4BCAT2CYP3A4HDAC6
SCHEMBL4116601 0.80 PTGER4 (0.43) L3MBTL1PTGER4BCAT2CYP3A4HDAC6
SCHEMBL4130592 0.79 PTGER4 (0.48) L3MBTL1PTGER4BCAT2CYP3A4HDAC6
SCHEMBL4129831 0.79 PTGER4 (0.47) L3MBTL1PTGER4BCAT2CYP3A4HDAC6
SCHEMBL6404694 0.79 L3MBTL1 (0.46) L3MBTL1PTGER4BCAT2CYP3A4HDAC6
SCHEMBL13905079 0.78 PTGER4 (0.46) L3MBTL1PTGER4BCAT2CYP3A4HDAC6
SCHEMBL6686467 0.78 BCL2L1 (0.51) L3MBTL1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007501189-A 2007-01-25 JP claimed
EP-1651631-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC. (US) 2006-05-03 EP claimed
US-20050187390-A1 Bicyclic heteroaryl derivatives GENELABS TECHNOLOGIES, INC. 2005-08-25 US claimed
WO-2005012288-A1 BICYCLIC IMIDAZOL DERIVATIVES AGAINST FLAVIVIRIDAE GENELABS TECHNOLOGIES, INC (US) 2005-02-10 WO 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 L3MBTL1 1221/4885PTGER4 4135/4885BCAT2 514/4885
US-20050187390-A1 Bicyclic heteroaryl derivatives HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885PTGER4 4135/4885BCAT2 514/4885

“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.