SCHEMBL6926368

SCHEMBL6926368

COc1ccc(NC(=N)N2Cc3cccc4cccc2c34)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 2/20 0.48
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
NAMPT P43490 1/20 0.43
TP53 P04637 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL6927733 0.86 GAA (0.46) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7103071 0.79 TAS1R3 (0.56) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8307416 0.76 POLB (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6928344 0.76 LMNA (0.39) KMT2AMAPTALDH1A1LMNAKDM4E
SCHEMBL8334448 0.76 SMN1; SMN2 (0.40) MEN1KMT2AMAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL6770312 0.75 KDM4E (0.45) MEN1KMT2AMAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL6769510 0.75 POLB (0.43) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL6921675 0.75 TAS1R3 (0.46) ALDH1A1LMNAPOLBTAS1R3TAS1R1
Hydrochloric Acid SCHEMBL8301740 0.75 SMN1; SMN2 (0.39) MEN1KMT2AMAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL6765727 0.74 NPC1 (0.41) MAPTALDH1A1GAAPOLBTP53

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 MEN1 2848/4885KMT2A 3542/4885MAPT 122/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN MEN1 2848/4885KMT2A 3542/4885MAPT 122/4885

“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.