SCHEMBL4047678

SCHEMBL4047678

O=C(NS)N(S)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.37
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ATM Q13315 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
PKM P14618 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL11372476 0.81 LMNA (0.42) NPSR1KMT2AMEN1TRPM8ALDH1A1
SCHEMBL5353973 0.79 MEN1 (0.56) NPSR1KMT2AMEN1ALDH1A1RAB9A
SCHEMBL2933654 0.77 NPSR1 (0.50) NPSR1KMT2AMEN1TRPM8ALDH1A1
SCHEMBL10626822 0.76 TDP1 (0.47) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL11864831 0.74 MTNR1A (0.40) NPSR1KMT2AMEN1ALDH1A1RAB9A
SCHEMBL1681249 0.73 NPSR1 (0.46) NPSR1KMT2ATRPM8ALDH1A1RAB9A
SCHEMBL14921002 0.73 NPSR1 (0.46) NPSR1KMT2AMEN1TRPM8ALDH1A1
SCHEMBL28248375 0.72 L3MBTL1 (0.46) NPSR1KMT2AMEN1TRPM8ALDH1A1
SCHEMBL8359274 0.72 ABCC1 (0.54) KMT2AMEN1TRPM8ALDH1A1POLB
SCHEMBL8580072 0.72 HPGD (0.47) ALDH1A1RAB9APOLBHTTGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032583-B1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
EP-2032583-A1 NEW CHEMICAL COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2009-03-11 EP disclosed
WO-2007144370-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 NPSR1 599/4885KMT2A 3467/4885MEN1 18/4885

“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.