SCHEMBL7603538

SCHEMBL7603538

N#CNC(=O)N(S)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CTSS P25774 2/20 0.40
CTSL P07711 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CTSK P43235 1/20 0.40
MCL1 Q07820 1/20 0.39
TACR1 P25103 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
SNCA P37840 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL6020341 0.78 POLB (0.50) POLBALDH1A1NPSR1NPC1RAB9A
SCHEMBL11568815 0.77 NPC1 (0.50) POLBALDH1A1NPSR1NPC1RAB9A
SCHEMBL7096077 0.76 GAA (0.49) ALDH1A1NPSR1RAB9AMEN1KMT2A
SCHEMBL28643707 0.76 NPC1 (0.50) ALDH1A1NPSR1NPC1RAB9AMEN1
SCHEMBL1339981 0.71 NPC1 (0.46) ALDH1A1NPSR1NPC1RAB9AMEN1
SCHEMBL437416 0.69 MEN1 (0.59) ALDH1A1RAB9AMEN1KMT2ACTSS
SCHEMBL4878105 0.69 NPSR1 (0.50) POLBALDH1A1NPSR1NPC1RAB9A
SCHEMBL31284828 0.69 ALDH1A1 (0.46) POLBALDH1A1NPSR1CTSSCTSL
SCHEMBL5412087 0.69 DHODH (0.40) NPC1RAB9ACTSSCTSLCTSK
SCHEMBL16179158 0.67 ALDH1A1 (0.57) POLBALDH1A1NPSR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity HALE JEFFREY J (US) 2002-07-18 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-20020094989-A1 Pyrrolidine modulators of CCR5 chemokine receptor activity CCR5, CCR1, CXCR1 POLB 744/4885ALDH1A1 2943/4885NPSR1 109/4885

“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.