SCHEMBL3552178

SCHEMBL3552178

Clc1ccc2nc(N3CCC[N]CC3)sc2c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.77
RAB9A P51151 10/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
MAPT P10636 4/20 0.62
POLB P06746 1/20 0.58
ALDH1A1 P00352 2/20 0.55
HTT P42858 1/20 0.55
CNR2 P34972 2/20 0.54
KMT2A Q03164 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
HCRTR1 O43613 1/20 0.50
HCRTR2 O43614 1/20 0.50
APOBEC3A P31941 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49

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
SCHEMBL8916226 0.94 NPC1 (0.76) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL3075675 0.89 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL24329835 0.87 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL3075030 0.84 MAPT (0.56) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL3549560 0.80 RAB9A (0.61) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL1689387 0.80 NPC1 (0.75) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL23269717 0.80 NPC1 (0.75) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL23269703 0.80 NPC1 (0.75) NPC1RAB9ASMN1; SMN2MAPTPOLB
Hydrochloric Acid SCHEMBL4307773 0.79 NPC1 (0.73) NPC1RAB9ASMN1; SMN2MAPTPOLB
SCHEMBL14046555 0.79 NPC1 (0.74) NPC1RAB9ASMN1; SMN2MAPTPOLB

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-7834015-B2 treatment of cancer, inflammatory diseases, reperfusion injuries, ischaemic conditions, stroke, renal failure, cardiovascular diseases, neurodegenerative diseases, retroviral infections, retinal damage, skin senescence and UV skin damage, and as chemosensitizers or radiosensitizers for cancer treatment INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2010-11-16 US disclosed
US-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-08-20 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-20090209523-A1 Pyrrolo[1,2-A] Pyrazin-1(2H)-One and Pyrrolo[1,2-D][1,2,4]Triazin-1(2H)-One Derivatives as Inhibitors of Poly(Adp-Ribose)Polymerase (Parp) PARP1, PARP2, PARP11 NPC1 4193/4885RAB9A 2823/4885SMN1; SMN2 1217/4885

“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.