SCHEMBL9613233

SCHEMBL9613233

Cc1nc2cc(C(=O)O)ccc2n1C1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 1.00
KDM4E B2RXH2 1/20 0.62
ALDH1A1 P00352 1/20 0.62
MAPT P10636 1/20 0.62
GFER P55789 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
HSD17B10 Q99714 2/20 0.59
GAA P10253 2/20 0.59
HCAR3 P49019 3/20 0.57
LMNA P02545 1/20 0.56
HTT P42858 1/20 0.55
CCNT1 O60563 1/20 0.53
CDK9 P50750 1/20 0.53
YEATS4 O95619 1/20 0.52
KCNH2 Q12809 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 2/20 0.51
ALOX15 P16050 1/20 0.50
THRB P10828 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL2687048 0.87 L3MBTL1 (0.77) L3MBTL1KDM4EALDH1A1MAPTGFER
Hydrochloric Acid SCHEMBL2687882 0.86 L3MBTL1 (0.76) L3MBTL1KDM4EALDH1A1MAPTGFER
SCHEMBL6840344 0.85 L3MBTL1 (0.74) L3MBTL1KDM4EALDH1A1MAPTGFER
SCHEMBL14382627 0.84 L3MBTL1 (0.73) L3MBTL1KDM4EALDH1A1MAPTGFER
SCHEMBL14613999 0.84 L3MBTL1 (0.72) L3MBTL1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL12895194 0.84 L3MBTL1 (0.72) L3MBTL1HSD17B10GAAHCAR3CCNT1
SCHEMBL14613993 0.83 L3MBTL1 (0.71) L3MBTL1KDM4EALDH1A1MAPTGFER
SCHEMBL14382664 0.83 L3MBTL1 (0.71) L3MBTL1HSD17B10GAAHCAR3HTT
SCHEMBL14382774 0.83 L3MBTL1 (0.70) L3MBTL1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL14382666 0.82 L3MBTL1 (0.70) L3MBTL1HSD17B10GAAHCAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1727797-B1 PROCESS FOR CROSS COUPLING INDOLES BOEHRINGER INGELHEIM PHARMA (US) 2012-05-30 EP disclosed
EP-2335700-A1 Hepatitis C virus polymerase inhibitors with a heterobicylic structure BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2011-06-22 EP disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 US disclosed
EP-1414797-B9 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2009-04-15 EP disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 US disclosed
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-1891951-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-02-27 EP 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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 L3MBTL1 2312/4885KDM4E 3438/4885ALDH1A1 3616/4885
US-20090081165-A1 BICYCLIC HETEROARYL DERIVATIVES HAVCR2, MAVS, ZC3HAV1 L3MBTL1 1221/4885KDM4E 2491/4885ALDH1A1 2299/4885

“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.