SCHEMBL1060995

SCHEMBL1060995

CCN(CC)CCN(C)C(=O)c1sc2c(c1OC)c(=O)n(CC(=O)O)c1ccccc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
KMT2A Q03164 2/20 0.39
MITF O75030 1/20 0.39
MEN1 O00255 1/20 0.39
UBE2N P61088 1/20 0.39
TP53 P04637 4/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 2/20 0.38
POLB P06746 2/20 0.37
GLA P06280 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10314203 0.92 SMN1; SMN2 (0.43) RXFP1NPSR1KMT2AMITFMEN1
Hydrochloric Acid SCHEMBL1064006 0.91 SMN1; SMN2 (0.43) RXFP1NPSR1KMT2AMITFMEN1
SCHEMBL1057152 0.91 RXFP1 (0.39) RXFP1NPSR1KMT2AMITFMEN1
SCHEMBL10314213 0.91 KDM4E (0.42) RXFP1NPSR1KMT2AMITFMEN1
SCHEMBL12932764 0.90 RXFP1 (0.41) RXFP1NPSR1KMT2AMITFMEN1
SCHEMBL1061784 0.90 MDM2 (0.43) RXFP1KMT2AMEN1TP53MAPT
SCHEMBL1062384 0.90 ADORA2B (0.42) RXFP1NPSR1KMT2AMITFMEN1
SCHEMBL10314315 0.89 PGR (0.42) RXFP1NPSR1KMT2AMITFMEN1
Hydrochloric Acid SCHEMBL1057017 0.89 MDM2 (0.43) RXFP1KMT2AMEN1TP53MAPT
SCHEMBL13708828 0.88 SMN1; SMN2 (0.42) RXFP1NPSR1KMT2AMITFMEN1

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-2247588-B1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2016-04-13 EP disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 US disclosed
US-8399449-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-03-19 US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 US disclosed
US-8217176-B2 Fused heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-07-10 US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
US-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-06 US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 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-20110003788-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 RXFP1 277/4885NPSR1 423/4885KMT2A 453/4885
US-20090227561-A1 FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF SMO, NR1H2, NR1H4 RXFP1 392/4885NPSR1 482/4885KMT2A 386/4885

“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.