SCHEMBL12196604

SCHEMBL12196604

CC(N)c1sc2ccccc2c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
GPR3 P46089 1/20 0.39
ALOX5 P09917 3/20 0.38
PTPN1 P18031 3/20 0.35
HSP90AA1 P07900 2/20 0.35
ACHE P22303 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNH2 Q12809 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ITGA4 P13612 1/20 0.33

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
SCHEMBL2503814 1.00 L3MBTL1 (0.43) L3MBTL1FABP4FABP5GPR3ALOX5
SCHEMBL12196628 0.83 ALOX5 (0.35) L3MBTL1GPR3ALOX5PTPN1ALDH1A1
SCHEMBL2507696 0.83 ALOX5 (0.35) L3MBTL1GPR3ALOX5PTPN1ALDH1A1
SCHEMBL2510520 0.83 ALOX5 (0.43) L3MBTL1FABP4FABP5GPR3ALOX5
SCHEMBL12196611 0.83 ALOX5 (0.43) L3MBTL1FABP4FABP5GPR3ALOX5
SCHEMBL17718409 0.82 IDO1 (0.42) FABP4FABP5
Hydrochloric Acid SCHEMBL11624757 0.81 DPP4 (0.40) PTPN1MEN1KMT2AALDH1A1MAPT
SCHEMBL12263320 0.80 PTPN1 (0.40) L3MBTL1FABP4FABP5GPR3ALOX5
SCHEMBL4093915 0.78 GPR3 (0.44) GPR3ALOX5MEN1KMT2AALDH1A1
SCHEMBL15478163 0.75 PTPN1 (0.36) L3MBTL1FABP4FABP5GPR3ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
US-8653089-B2 Heterocyclic compounds and methods of use F. HOFFMANN-LA ROCHE AG (CH) 2014-02-18 US disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
WO-2012107465-A1 HETEROCYCLIC COMPOUNDS AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 WO disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
US-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-08-09 US disclosed
WO-2011123751-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 WO disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 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-20120202785-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, AKT3 L3MBTL1 4139/4885FABP4 2848/4885FABP5 3614/4885
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 L3MBTL1 2691/4885FABP4 3067/4885FABP5 4089/4885

“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.