SCHEMBL9963487

SCHEMBL9963487

CCOC(=O)C(C)Nc1nc2cc3nc(NC(C)C(=O)OCC)sc3cc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.49
RAB9A P51151 10/20 0.49
SMN1; SMN2 Q16637 9/20 0.49
ALDH1A1 P00352 5/20 0.49
PTPN1 P18031 3/20 0.48
MAPT P10636 3/20 0.46
GAA P10253 3/20 0.46
HPGD P15428 3/20 0.46
ALPL P05186 1/20 0.46
STAT1 P42224 1/20 0.46
KDM4E B2RXH2 3/20 0.44
TP53 P04637 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 4/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ELANE P08246 1/20 0.43
MAPK1 P28482 3/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL9963507 0.81 NPC1 (0.45) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL11100379 0.74 ACP1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4501442 0.74 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2ALDH1A1PTPN1
SCHEMBL4500018 0.73 NPC1 (0.47) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL23629012 0.73 NPC1 (0.75) NPC1RAB9ASMN1; SMN2ALDH1A1PTPN1
SCHEMBL9928638 0.72 ALDH1A1 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1PTPN1
SCHEMBL11108686 0.70 DYRK1A (0.42) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL9963512 0.70 LRRK2 (0.47) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL11262709 0.70 NPC1 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1PTPN1
SCHEMBL11106758 0.69 DYRK1A (0.62) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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
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-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
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US 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 NPC1 93/4885RAB9A 696/4885SMN1; SMN2 251/4885

“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.