SCHEMBL9963505

SCHEMBL9963505

CN1CCN(C(=O)CNC(=S)Nc2cccc(NC(=S)NCCN3CCCC3=O)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
MAPT P10636 2/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
TSHR P16473 1/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
USP2 O75604 1/20 0.48
RECQL P46063 1/20 0.48
NPC1 O15118 2/20 0.46
ATM Q13315 1/20 0.46
RAB9A P51151 1/20 0.46
LMNA P02545 1/20 0.45
NAMPT P43490 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
F10 P00742 1/20 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
SCHEMBL5458024 0.78 ALDH1A1 (0.78) ALDH1A1MAPTGAATDP1TSHR
SCHEMBL9963472 0.71 LMNA (0.49) KMT2AMEN1SMN1; SMN2LMNAL3MBTL1
SCHEMBL9963475 0.71 ALDH1A1 (0.48) ALDH1A1MAPTGAATSHRKMT2A
SCHEMBL9963608 0.69 L3MBTL1 (0.49) ALDH1A1MAPTTSHRKMT2AMEN1
SCHEMBL9694299 0.67 TSHR (0.54) ALDH1A1TSHRKMT2AMEN1
SCHEMBL14433881 0.66 KMT2A (0.72) ALDH1A1MAPTGAATDP1KMT2A
SCHEMBL9963494 0.65 PTGS2 (0.45) ALDH1A1TSHRKMT2AMEN1NPC1
SCHEMBL9963478 0.65 LMNA (0.46) ALDH1A1MAPTGAAKMT2AMEN1
SCHEMBL4548290 0.65 KMT2A (0.71) TSHRKMT2AMEN1SMN1; SMN2NPC1
SCHEMBL11470310 0.65 KMT2A (0.81) TSHRKMT2AMEN1SMN1; SMN2NPC1

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 ALDH1A1 51/4885MAPT 1865/4885GAA 506/4885

“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.