SCHEMBL3559291

SCHEMBL3559291

Clc1cccc2sc(N3CCCCC[N]3)nc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.68
▸ RAB9A P51151 4/20 0.68
▸ HPGD P15428 4/20 0.68
▸ MAPT P10636 5/20 0.53
▸ LMNA P02545 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ TSHR P16473 2/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.45
▸ PDE10A Q9Y233 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ PANK3 Q9H999 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PKM P14618 1/20 0.41

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
SCHEMBL3550190 0.77 RAB9A (0.50) SMN1; SMN2RAB9AMAPTLMNANPC1
SCHEMBL4590671 0.70 SMN1; SMN2 (0.74) SMN1; SMN2RAB9AHPGDMAPTLMNA
SCHEMBL1747928 0.65 LMNA (0.66) SMN1; SMN2RAB9AHPGDMAPTLMNA
SCHEMBL6768072 0.65 SMN1; SMN2 (0.70) SMN1; SMN2RAB9AHPGDMAPTLMNA
SCHEMBL8788403 0.65 RAB9A (0.53) SMN1; SMN2RAB9AHPGDMAPTLMNA
SCHEMBL2091153 0.64 SMN1; SMN2 (0.68) SMN1; SMN2RAB9AHPGDMAPTLMNA
SCHEMBL2091149 0.64 SMN1; SMN2 (0.68) SMN1; SMN2RAB9AHPGDMAPTLMNA
SCHEMBL2433144 0.64 LMNA (0.63) SMN1; SMN2RAB9AHPGDMAPTLMNA
SCHEMBL4707920 0.63 LTA4H (0.69) SMN1; SMN2RAB9AHPGD
SCHEMBL3424292 0.62 LMNA (0.61) SMN1; SMN2RAB9AHPGDMAPTLMNA

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 4 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
EP-2032140-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 Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2009-03-11 — — EP disclosed
WO-2007138355-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) 2007-12-06 — — WO 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 SMN1; SMN2 1217/4885RAB9A 2823/4885HPGD 957/4885

“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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