SCHEMBL5111734

SCHEMBL5111734

Cc1ccc(NC(=S)N2CCC3(CC2)CC(C(=O)NCc2ccc(Cl)cc2)=NO3)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 1/20 0.49
TP53 P04637 2/20 0.46
CYP2C19 P33261 1/20 0.42
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.41
DHODH Q02127 1/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL5113967 0.91 RAB9A (0.45) NPC1RAB9ACYP2C19MAPTALDH1A1
SCHEMBL5111409 0.91 POLB (0.49) RAB9ATP53CYP2C19MAPTALDH1A1
SCHEMBL1457198 0.87 NAMPT (0.48) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL1457145 0.85 NPC1 (0.47) NPC1RAB9ATP53CYP2C19MAPT
SCHEMBL5122782 0.85 MEN1 (0.47) MAPTALDH1A1GAALMNASMN1; SMN2
SCHEMBL5126307 0.84 MAPT (0.41) TP53CYP2C19MAPTNPSR1KMT2A
SCHEMBL5121165 0.84 GAA (0.47) ALDH1A1GAALMNASMN1; SMN2KMT2A
SCHEMBL5119685 0.83 RAB9A (0.39) NPC1RAB9AMAPTALDH1A1L3MBTL1
SCHEMBL5111849 0.82 MAPT (0.52) MAPTALDH1A1L3MBTL1GAAHPGD
SCHEMBL5119573 0.82 KMT2A (0.39) NPC1RAB9AALDH1A1GAAHPGD

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 2527/4885TP53 4078/4885

“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.