SCHEMBL5115795

SCHEMBL5115795

O=C(NCc1ccc(Cl)cc1)C1=NOC2(CCN(C(=S)NC3CCCCCCC3)CC2)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.50
LMNA P02545 2/20 0.50
ALOX12 P18054 1/20 0.50
MAPT P10636 3/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL5114511 0.89 NPC1 (0.42) EPHX1LMNAALOX12MAPTMEN1
SCHEMBL1457495 0.85 EPHX1 (0.48) EPHX1LMNAALOX12MAPTMEN1
SCHEMBL5127055 0.85 FKBP1A (0.45) EPHX1LMNAMAPTMEN1KMT2A
SCHEMBL5126624 0.85 FKBP1A (0.45) EPHX1LMNAMAPTMEN1KMT2A
SCHEMBL5122782 0.84 MEN1 (0.47) LMNAMAPTMEN1KMT2APOLB
SCHEMBL5126820 0.84 FKBP1A (0.44) EPHX1LMNAMAPTMEN1KMT2A
SCHEMBL5114516 0.84 KMT2A (0.41) EPHX1LMNAALOX12MAPTMEN1
SCHEMBL5121165 0.81 GAA (0.47) LMNAMEN1KMT2APOLBGAA
SCHEMBL5111734 0.81 NPC1 (0.49) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL5111409 0.81 POLB (0.49) LMNAMAPTMEN1KMT2ARAB9A

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 EPHX1 1142/4885LMNA 421/4885ALOX12 2525/4885

“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.