SCHEMBL6925637

SCHEMBL6925637

N=C(Nc1cccc(Br)c1)N1Cc2cccc3cccc1c23

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GAA P10253 3/20 0.37
IDO1 P14902 1/20 0.37
GRM5 P41594 1/20 0.36
TGM2 P21980 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL8338426 0.85 DRD2 (0.42) TRPV1KMT2AMEN1ALDH1A1GAA
SCHEMBL8305219 0.82 GAA (0.46) KMT2AMEN1GAAHPGDSMN1; SMN2
SCHEMBL6925067 0.82 MAPT (0.44) TRPV1KMT2AMEN1ALDH1A1GAA
SCHEMBL7069222 0.82 NPC1 (0.50) TRPV1PRMT5WDR77KMT2AMEN1
SCHEMBL8301982 0.81 TRPV1 (0.40) TRPV1KMT2AMEN1ALDH1A1GAA
SCHEMBL6769814 0.78 GAA (0.42) KMT2AMEN1GAAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL6770312 0.75 KDM4E (0.45) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL8307416 0.74 POLB (0.44) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL6927639 0.73 TAS1R3 (0.44) TRPV1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL8334448 0.73 SMN1; SMN2 (0.40) KMT2AMEN1ALDH1A1KDM4ELMNA

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 7 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
EP-0925300-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-30 EP disclosed
EP-0925300-A4 1999-06-30 EP disclosed
WO-1999002145-A1 COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-01-21 WO disclosed
WO-1997030054-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-08-21 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 TRPV1 333/4885PRMT5 2057/4885WDR77 4819/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN TRPV1 333/4885PRMT5 2057/4885WDR77 4819/4885

“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.