SCHEMBL7104845

SCHEMBL7104845

COc1ccc(N=C(N)N2CCc3ccccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
SIGMAR1 Q99720 1/20 0.58
KMT2A Q03164 3/20 0.58
MAPT P10636 4/20 0.56
NPC1 O15118 3/20 0.56
PKM P14618 1/20 0.56
NFKB1 P19838 1/20 0.56
MAOB P27338 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 4/20 0.50
TSHR P16473 1/20 0.50
MEN1 O00255 2/20 0.48
SCN2A Q99250 1/20 0.48
LMNA P02545 2/20 0.47
NOS3 P29474 1/20 0.46
HTR3E A5X5Y0 1/20 0.46

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
SCHEMBL7681718 0.85 SCN2A (0.64) RAB9ASMN1; SMN2SIGMAR1KMT2AMAPT
SCHEMBL6768624 0.84 SIGMAR1 (0.67) RAB9ASMN1; SMN2SIGMAR1KMT2AMAPT
SCHEMBL7100143 0.82 SIGMAR1 (0.58) RAB9ASMN1; SMN2SIGMAR1KMT2AMAPT
SCHEMBL6765764 0.82 SIGMAR1 (0.58) RAB9ASMN1; SMN2SIGMAR1KMT2AMAPT
SCHEMBL7103073 0.82 MAPT (0.53) RAB9ASMN1; SMN2SIGMAR1KMT2AMAPT
SCHEMBL8440693 0.82 SIGMAR1 (0.76) RAB9ASMN1; SMN2SIGMAR1KMT2AMAPT
SCHEMBL6775201 0.80 SIGMAR1 (0.62) RAB9ASMN1; SMN2SIGMAR1KMT2AMAPT
SCHEMBL7099591 0.79 ALDH1A1 (0.55) RAB9ASMN1; SMN2SIGMAR1KMT2AMAPT
SCHEMBL7099375 0.79 SIGMAR1 (0.65) RAB9ASMN1; SMN2SIGMAR1KMT2AMAPT
Hydrochloric Acid SCHEMBL6768586 0.79 SIGMAR1 (0.61) RAB9ASMN1; SMN2SIGMAR1KMT2AMAPT

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-20030153763-A1 Pharmaceutically active compounds and methods of use WYETH 2003-08-14 US claimed
US-20020099084-A1 Pharmaceutically active compounds and methods of use WYETH 2002-07-25 US claimed
US-6358993-B1 TREATMENT OF NEUROLOGICAL INJURY AND NEURODEGENERATIVE DISORDERS; NEUROPROTECTIVE AGENTS; SUBSTITUTED INDOLINYL AND INDOLINYL GUANIDINE DERIVATIVES CENES PHARMACEUTICALS, INC. 2002-03-19 US claimed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 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 (2 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-20030153763-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN RAB9A 1903/4885SMN1; SMN2 104/4885SIGMAR1 2813/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN RAB9A 1903/4885SMN1; SMN2 104/4885SIGMAR1 2813/4885

“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.