SCHEMBL1783396

SCHEMBL1783396

COCCC(=O)Nc1nc2c(s1)C(=O)CCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.56
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
PARP1 P09874 1/20 0.46
GLS O94925 2/20 0.45
HTT P42858 2/20 0.43
CFTR P13569 2/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 4/20 0.41
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PAX8 Q06710 1/20 0.41

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
SCHEMBL1782693 0.83 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2NPC1TP53POLB
SCHEMBL1118025 0.81 TSHR (0.62) ALDH1A1SMN1; SMN2NPC1TP53POLB
SCHEMBL691361 0.79 TSHR (0.67) ALDH1A1SMN1; SMN2NPC1TP53POLB
SCHEMBL172155 0.78 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2NPC1TP53POLB
SCHEMBL1781609 0.78 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPC1TP53POLB
SCHEMBL3273226 0.77 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2NPC1TP53POLB
SCHEMBL3277209 0.76 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2NPC1TP53POLB
SCHEMBL1771243 0.76 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2NPC1TP53POLB
SCHEMBL6067925 0.75 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2NPC1TP53POLB
SCHEMBL1118053 0.75 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2NPC1TP53POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
WO-2009112565-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-17 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 (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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R ALDH1A1 54/4885SMN1; SMN2 1428/4885NPC1 136/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R ALDH1A1 54/4885SMN1; SMN2 1428/4885NPC1 136/4885

“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.