SCHEMBL10061731

SCHEMBL10061731

C=C1Nc2ccc(N3CCOCC3)cc2C(C)S1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.42
LGMN Q99538 3/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
PRKDC P78527 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PKM P14618 1/20 0.37
TP53 P04637 2/20 0.37
ALOX15 P16050 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 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
SCHEMBL10061680 0.78 KIF11 (0.46) KIF11LGMNOPRM1OPRD1PRKDC
SCHEMBL10061681 0.78 KIF11 (0.43) KIF11LGMNOPRM1OPRD1PRKDC
SCHEMBL10061683 0.77 OPRM1 (0.43) KIF11LGMNOPRM1OPRD1PRKDC
SCHEMBL10061732 0.72 LGMN (0.43) KIF11LGMNPRKDCALDH1A1HSD17B10
SCHEMBL10061689 0.66 SLC6A2 (0.42) KIF11LGMNOPRM1OPRD1PRKDC
SCHEMBL23767963 0.65 LGMN (0.44) KIF11LGMNPRKDCALDH1A1HSD17B10
SCHEMBL23767964 0.65 LGMN (0.44) KIF11LGMNPRKDCALDH1A1HSD17B10
SCHEMBL10061699 0.65 SLC6A2 (0.41) KIF11LGMNPRKDCALDH1A1HSD17B10
SCHEMBL10061742 0.65 SLC6A2 (0.41) KIF11LGMNPRKDCALDH1A1HSD17B10
SCHEMBL10061682 0.65 OPRM1 (0.41) OPRM1OPRD1ALDH1A1MAPTMEN1

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 KIF11 2601/4885LGMN 4441/4885OPRM1 905/4885

“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.