SCHEMBL19734634

SCHEMBL19734634

CCC(C)(C)CNC(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.54
▸ RAB9A P51151 4/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ DRD2 P14416 2/20 0.54
▸ DRD4 P21917 2/20 0.54
▸ DRD3 P35462 2/20 0.54
▸ EPHX2 P34913 1/20 0.51
▸ NR1H4 Q96RI1 1/20 0.51
▸ PRSS1 P07477 1/20 0.51
▸ CTSG P08311 1/20 0.51
▸ CTRB1 P17538 1/20 0.51
▸ CMA1 P23946 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ HDAC3 O15379 2/20 0.50
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ HDAC8 Q9BY41 2/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC10 Q969S8 1/20 0.50

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
SCHEMBL5020903 0.90 PRSS1 (0.61) NPC1RAB9ASMN1; SMN2PRSS1CTSG
SCHEMBL19728223 0.85 RAB9A (0.58) NPC1RAB9ASMN1; SMN2DRD2DRD4
SCHEMBL25779518 0.85 RAB9A (0.58) NPC1RAB9ASMN1; SMN2DRD2DRD4
SCHEMBL14297358 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2PRSS1CTSG
SCHEMBL2466111 0.81 RAB9A (0.54) NPC1RAB9ASMN1; SMN2DRD2DRD4
SCHEMBL25752880 0.81 PRSS1 (0.67) NPC1RAB9ASMN1; SMN2PRSS1CTSG
SCHEMBL4530808 0.80 NPC1 (0.63) NPC1RAB9ASMN1; SMN2DRD2DRD4
SCHEMBL19734509 0.80 NPC1 (0.63) NPC1RAB9ASMN1; SMN2DRD2DRD4
SCHEMBL1927649 0.77 DRD2 (0.77) NPC1RAB9ASMN1; SMN2DRD2DRD4
SCHEMBL8160658 0.76 NPC1 (0.63) NPC1RAB9ASMN1; SMN2DRD2DRD4

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-20170362283-A1 NISIN-BASED COMPOUNDS AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS UNIVERSITEIT UTRECHT HOLDING B.V. (NL) 2017-12-21 — — 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-20170362283-A1 NISIN-BASED COMPOUNDS AND USE THEREOF IN THE TREATMENT OF BACTERIAL INFECTIONS NISCH, VIP, NGLY1 NPC1 703/4885RAB9A 3302/4885SMN1; SMN2 2507/4885

“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.

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