SCHEMBL5114516

SCHEMBL5114516

CN(C(=S)N1CCC2(CC1)CC(C(=O)NCc1ccc(Cl)cc1)=NO2)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 3/20 0.39
ALOX12 P18054 1/20 0.39
EPHX1 P07099 1/20 0.39
THRB P10828 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
LSS P48449 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL5120152 0.86 HCRTR1 (0.42) KMT2AMEN1POLBLMNARAB9A
SCHEMBL1457214 0.86 LMNA (0.37) KMT2AMEN1NPC1POLBLMNA
SCHEMBL5115795 0.84 EPHX1 (0.50) KMT2AMEN1NPC1POLBLMNA
SCHEMBL5114511 0.83 NPC1 (0.42) KMT2AMEN1NPC1POLBLMNA
SCHEMBL5122782 0.79 MEN1 (0.47) KMT2AMEN1POLBLMNAALDH1A1
SCHEMBL5111734 0.78 NPC1 (0.49) KMT2AMEN1NPC1POLBLMNA
SCHEMBL5114594 0.77 SMN1; SMN2 (0.57) KMT2AMEN1LMNAMAPTTP53
SCHEMBL1457198 0.77 NAMPT (0.48) NPC1POLBLMNARAB9AALDH1A1
SCHEMBL5113967 0.76 RAB9A (0.45) KMT2AMEN1NPC1POLBLMNA
SCHEMBL5121165 0.76 GAA (0.47) KMT2AMEN1POLBLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US claimed
US-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs GRUENENTHAL GMBH (DE) 2008-09-04 US 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-20080214807-A1 Substituted Spiro Compounds and their Use for Producing Drugs REN, PKD1, NR3C2 KMT2A 4068/4885MEN1 941/4885NPC1 435/4885

“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.