SCHEMBL4153725

SCHEMBL4153725

c1cc(C2NCCS2)ccn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.61
TDP1 Q9NUW8 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 2/20 0.56
HSD17B10 Q99714 1/20 0.45
RECQL P46063 1/20 0.39
ERN1 O75460 1/20 0.36
NISCH Q9Y2I1 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
TGFBR1 P36897 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
MAP2K1 Q02750 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL4655299 0.79 MAPT (0.66) MAPTTDP1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL8923934 0.78 CHRNB2 (0.56) MAPTTDP1SMN1; SMN2ALDH1A1CYP1A2
SCHEMBL8155209 0.76 MAPT (0.61) MAPTTDP1SMN1; SMN2ALDH1A1ERN1
SCHEMBL2082827 0.76 MAPT (1.00) MAPTTDP1SMN1; SMN2ALDH1A1ERN1
SCHEMBL10896316 0.76 MAPT (1.00) MAPTTDP1SMN1; SMN2ALDH1A1ERN1
SCHEMBL2084131 0.76 MAPT (0.66) MAPTTDP1SMN1; SMN2ALDH1A1ERN1
Formamide SCHEMBL9819793 0.73 CHRNB2 (0.46) MAPTTDP1SMN1; SMN2ALDH1A1CYP1A2
Bicarbonate SCHEMBL9826841 0.73 MAPT (0.58) MAPTTDP1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL2084173 0.73 MAPT (0.62) MAPTTDP1SMN1; SMN2ALDH1A1MAOA
SCHEMBL2083948 0.72 MAPT (0.56) MAPTTDP1SMN1; SMN2ALDH1A1NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-07-16 US disclosed
US-7429597-B2 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO., KG (DE) 2008-09-30 US disclosed
EP-1583757-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-10-12 EP disclosed
US-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-09-09 US disclosed
WO-2004058743-A1 NOVEL SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES AND USE THEREOF AS FACTOR XA INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-15 WO disclosed
CN-1058780-A Has the active thiazolidine carboxylic acid amides derivative of anti-allergy, their preparation and application SANKYO CO (JP) 1992-02-19 CN 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-20040176603-A1 Substituted nitrogen-containing heterobicycles, the preparation thereof and their use as pharmaceutical compositions F11, F12, F2 MAPT 2537/4885TDP1 235/4885SMN1; SMN2 1424/4885
US-20090181958-A1 SUBSTITUTED NITROGEN-CONTAINING HETEROBICYCLES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS F12, F11, F2 MAPT 2917/4885TDP1 611/4885SMN1; SMN2 1792/4885

“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.