SCHEMBL1895259

SCHEMBL1895259

CCSc1nc(C)c(Cc2ccccc2)c(=O)[nH]1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.74
HSD17B10 Q99714 1/20 0.74
SMN1; SMN2 Q16637 4/20 0.74
KMT2A Q03164 5/20 0.71
MEN1 O00255 4/20 0.71
TSHR P16473 1/20 0.71
THRB P10828 3/20 0.64
ALDH1A1 P00352 6/20 0.61
MAPT P10636 3/20 0.61
HTT P42858 1/20 0.61
POLB P06746 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
TP53 P04637 3/20 0.59
CA12 O43570 1/20 0.58
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
CA6 P23280 1/20 0.58
CA7 P43166 1/20 0.58
CA13 Q8N1Q1 1/20 0.58
HPGD P15428 1/20 0.57

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
SCHEMBL20828281 0.89 LMNA (0.74) LMNAHSD17B10SMN1; SMN2KMT2AMEN1
SCHEMBL10857015 0.86 LMNA (0.70) LMNAHSD17B10SMN1; SMN2KMT2AMEN1
SCHEMBL20828288 0.81 THRB (0.89) LMNAHSD17B10SMN1; SMN2KMT2AMEN1
SCHEMBL20828279 0.81 THRB (0.67) LMNAHSD17B10SMN1; SMN2KMT2AMEN1
SCHEMBL20828282 0.80 MEN1 (0.75) LMNAHSD17B10SMN1; SMN2KMT2AMEN1
SCHEMBL8124808 0.80 PLA2G7 (0.65) LMNAHSD17B10SMN1; SMN2KMT2AMEN1
SCHEMBL2610116 0.79 LMNA (0.64) LMNAHSD17B10SMN1; SMN2KMT2AMEN1
SCHEMBL20828283 0.79 GAA (0.69) LMNAHSD17B10SMN1; SMN2KMT2AMEN1
SCHEMBL20828275 0.76 LMNA (0.66) LMNAHSD17B10SMN1; SMN2KMT2AMEN1
SCHEMBL1896796 0.76 ALDH1A1 (0.55) LMNAHSD17B10SMN1; SMN2KMT2AMEN1

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998968-B2 Substituted pyrimidines and [1,2, 4] triazoles and the use thereof for treating prophylaxis, cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-16 US disclosed
US-7998968-B2 Substituted pyrimidines and [1,2, 4] triazoles and the use thereof for treating prophylaxis, cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-16 US disclosed
US-7998968-B2 Substituted pyrimidines and [1,2, 4] triazoles and the use thereof for treating prophylaxis, cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-08-16 US disclosed
US-20110112120-A9 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-05-12 US disclosed
US-20110112120-A9 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-05-12 US disclosed
US-20110112120-A9 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-05-12 US disclosed
EP-2256115-A1 Heteromonocyclic compound and use thereof Takeda Pharmaceutical Company Limited (JP) 2010-12-01 EP disclosed
US-7803940-B2 Heteromonocyclic compound or a salt thereof having strong antihypertensive action, insulin sensitizing activity and the like production thereof and use thereof for prophylaxis or treatment of cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-7803940-B2 Heteromonocyclic compound or a salt thereof having strong antihypertensive action, insulin sensitizing activity and the like production thereof and use thereof for prophylaxis or treatment of cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-7803940-B2 Heteromonocyclic compound or a salt thereof having strong antihypertensive action, insulin sensitizing activity and the like production thereof and use thereof for prophylaxis or treatment of cardiovascular diseases, metabolic diseases and/or central nervous system diseases TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20100056526-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-03-04 US disclosed
WO-2009133970-A1 CRYSTALLINE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-05 WO disclosed
US-20090176812-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-07-09 US disclosed
US-20090176812-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-07-09 US disclosed
US-20090176812-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2009-07-09 US disclosed
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-08-28 US disclosed
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-08-28 US disclosed
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2008-08-28 US disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 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 (4 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-20110112120-A9 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 LMNA 2114/4885HSD17B10 585/4885SMN1; SMN2 2355/4885
US-20100056526-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF CYP11B2, CYP11B1, NR3C2 LMNA 2219/4885HSD17B10 216/4885SMN1; SMN2 1122/4885
US-20080207654-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C3AR1, C1S LMNA 2534/4885HSD17B10 695/4885SMN1; SMN2 1782/4885
US-20090176812-A1 HETEROMONOCYCLIC COMPOUND AND USE THEREOF C1R, C1S, C3AR1 LMNA 2114/4885HSD17B10 585/4885SMN1; SMN2 2355/4885

“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.