SCHEMBL5114511

SCHEMBL5114511

O=C(NCc1ccc(Cl)cc1)C1=NOC2(CCN(C(=S)NCC3CCCCC3)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.40
ALOX12 P18054 1/20 0.40
EPHX1 P07099 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ARG1 P05089 1/20 0.37
ARG2 P78540 1/20 0.37

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
SCHEMBL5115795 0.89 EPHX1 (0.50) NPC1RAB9ALMNAALOX12EPHX1
SCHEMBL5122782 0.86 MEN1 (0.47) LMNAKMT2AMEN1POLBSMN1; SMN2
SCHEMBL5120151 0.85 MEN1 (0.46) RAB9ALMNAKMT2AMEN1POLB
SCHEMBL5114516 0.83 KMT2A (0.41) NPC1RAB9ALMNAALOX12EPHX1
SCHEMBL5119238 0.82 ALDH1A1 (0.46) NPC1RAB9ALMNAEPHX1KMT2A
SCHEMBL5127230 0.81 KMT2A (0.43) RAB9ALMNAKMT2AMEN1POLB
SCHEMBL5111734 0.81 NPC1 (0.49) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL5111409 0.81 POLB (0.49) RAB9ALMNAKMT2AMEN1POLB
SCHEMBL5121165 0.81 GAA (0.47) LMNAKMT2AMEN1POLBSMN1; SMN2
SCHEMBL5126319 0.80 ALDH1A1 (0.47) RAB9ALMNAKMT2AMEN1SMN1; SMN2

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 435/4885RAB9A 2527/4885LMNA 421/4885

“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.