SCHEMBL5112249

SCHEMBL5112249

COc1ccc(CNC(=O)C2=NOC3(CCN(C(=S)NCCN4CCOCC4)CC3)C2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 5/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 2/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 3/20 0.42
PDE5A O76074 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL1457133 0.88 NPC1 (0.44) NPC1ALDH1A1KDM4ESMN1; SMN2CYP2C9
SCHEMBL5126616 0.86 ALDH1A1 (0.54) NPC1ALDH1A1KDM4ESMN1; SMN2CYP2C9
SCHEMBL5126319 0.86 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5125610 0.86 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2MAPTMEN1
SCHEMBL5115837 0.83 GAA (0.52) ALDH1A1SMN1; SMN2MAPK1HPGDLMNA
SCHEMBL5119733 0.83 KMT2A (0.46) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL5120151 0.82 MEN1 (0.46) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5118862 0.82 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL5126820 0.82 FKBP1A (0.44) NPC1ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL5127055 0.81 FKBP1A (0.45) NPC1ALDH1A1SMN1; SMN2MAPTMEN1

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 NPC1 435/4885ALDH1A1 281/4885KDM4E 3418/4885

“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.