SCHEMBL7103078

SCHEMBL7103078

COc1cccc2c(NC(=N)N3CCc4ccccc43)cccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
GAA P10253 1/20 0.52
SIGMAR1 Q99720 1/20 0.47
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
MAOB P27338 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
KDM4E B2RXH2 2/20 0.46
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HPGD P15428 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43

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
Hydrochloric Acid SCHEMBL6768735 0.99 ALDH1A1 (0.52) ALDH1A1GAASIGMAR1MAPTSMN1; SMN2
SCHEMBL6771614 0.94 ALDH1A1 (0.49) ALDH1A1GAASIGMAR1MAPTSMN1; SMN2
SCHEMBL7099588 0.90 GAA (0.62) ALDH1A1GAASIGMAR1MAPTSMN1; SMN2
SCHEMBL6769733 0.89 ALDH1A1 (0.47) ALDH1A1GAASIGMAR1MAPTSMN1; SMN2
SCHEMBL6768224 0.88 GAA (0.52) ALDH1A1GAASIGMAR1MAPTSMN1; SMN2
SCHEMBL6769036 0.85 LMNA (0.51) ALDH1A1GAASIGMAR1MAPTSMN1; SMN2
SCHEMBL8333272 0.85 NOTUM (0.53) ALDH1A1GAAMAPTSMN1; SMN2RAB9A
SCHEMBL6768941 0.83 SIGMAR1 (0.55) ALDH1A1GAASIGMAR1MAPTSMN1; SMN2
SCHEMBL7103071 0.80 TAS1R3 (0.56) ALDH1A1GAAMAPTSMN1; SMN2RAB9A
SCHEMBL6768523 0.80 KDM4E (0.50) ALDH1A1GAASIGMAR1MAPTSMN1; SMN2

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 ALDH1A1 479/4885GAA 72/4885SIGMAR1 2813/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN ALDH1A1 479/4885GAA 72/4885SIGMAR1 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.