SCHEMBL10061732

SCHEMBL10061732

C=C1Nc2ccc(N3CCOCC3)cc2CS1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 3/20 0.43
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TMEM97 Q5BJF2 3/20 0.39
SIGMAR1 Q99720 3/20 0.39
ADRA2A P08913 2/20 0.39
ADRA2B P18089 2/20 0.39
ADRA2C P18825 1/20 0.39
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
MAPT P10636 5/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
ALOX15 P16050 2/20 0.37
MEN1 O00255 3/20 0.37

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
SCHEMBL10061730 0.84 KDM4E (0.44) ADRA2CALDH1A1MAPTNPC1RAB9A
SCHEMBL10061699 0.76 SLC6A2 (0.41) LGMNSLC6A2SLC6A4SLC6A3TDP1
SCHEMBL10061742 0.76 SLC6A2 (0.41) LGMNSLC6A2SLC6A4SLC6A3TDP1
SCHEMBL10061734 0.74 IDH1 (0.40) LGMNSLC6A2SLC6A4SLC6A3TDP1
SCHEMBL10061689 0.74 SLC6A2 (0.42) LGMNSLC6A2SLC6A4SLC6A3TDP1
SCHEMBL10061731 0.72 KIF11 (0.42) LGMNTDP1ALDH1A1HSD17B10HPGD
SCHEMBL11196268 0.71 CRBN (0.52) SLC6A2SLC6A4SLC6A3TDP1ALDH1A1
SCHEMBL24783546 0.69 ALDH1A1 (0.46) LGMNSLC6A2SLC6A4SLC6A3TMEM97
SCHEMBL30226755 0.69 ALDH1A1 (0.46) LGMNSLC6A2SLC6A4SLC6A3TMEM97
SCHEMBL9093746 0.67 LMNA (0.71) LGMNALDH1A1HSD17B10HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207179-B2 Substituted indolines as tyrosine kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-26 US disclosed
US-20100222331-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 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 (1 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-20100222331-A1 NEW COMPOUNDS CCNA1, CCNY, MKI67 LGMN 4441/4885SLC6A2 2944/4885SLC6A4 3652/4885

“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.