SCHEMBL6927733

SCHEMBL6927733

COc1ccccc1NC(=N)N1Cc2cccc3cccc1c23

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NSD2 O96028 1/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 2/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
CASP6 P55212 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL6926368 0.86 MEN1 (0.50) GAAALDH1A1KDM4EMAPTLMNA
SCHEMBL8334448 0.84 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1KDM4EMAPTL3MBTL1
Hydrochloric Acid SCHEMBL6770312 0.84 KDM4E (0.45) GAAALDH1A1KDM4EMAPTKMT2A
Hydrochloric Acid SCHEMBL8301740 0.83 SMN1; SMN2 (0.39) SMN1; SMN2ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL6927639 0.81 TAS1R3 (0.44) GAASMN1; SMN2ALDH1A1KDM4EL3MBTL1
SCHEMBL8300580 0.81 MAPT (0.49) GAAALDH1A1KDM4EMAPTNSD2
Hydrochloric Acid SCHEMBL6765727 0.80 NPC1 (0.41) GAASMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL6929369 0.78 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1KDM4EMAPTLMNA
SCHEMBL7099588 0.78 GAA (0.62) GAASMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL8300326 0.77 SIGMAR1 (0.44) ALDH1A1KDM4EMAPTL3MBTL1LMNA

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-6514990-B2 Fused N-heterocylic rings substituted at the ring nitrogen with group of formula (R-N(-R1)-C(=NH)-); treating a neurodegenerative disease; N-(m-ethylphenyl)-1-indolinylcarboximidamide, for example SCION PHARMACEUTICALS, INC. 2003-02-04 US claimed
US-20020099084-A1 Pharmaceutically active compounds and methods of use WYETH 2002-07-25 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 GAA 72/4885SMN1; SMN2 104/4885ALDH1A1 479/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN GAA 72/4885SMN1; SMN2 104/4885ALDH1A1 479/4885

“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.