SCHEMBL7100765

SCHEMBL7100765

NC(=Nc1cccc2cccnc12)N1CCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
POLB P06746 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 4/20 0.42
USP2 O75604 2/20 0.42
MAPK1 P28482 2/20 0.41
NOTUM Q6P988 1/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 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
SCHEMBL7098760 0.93 MAPT (0.54) KMT2APOLBSMN1; SMN2MAPTTDP1
SCHEMBL6768618 0.82 SIGMAR1 (0.58) SMN1; SMN2MAPTTDP1CHRM2CHRM4
SCHEMBL6769257 0.78 SIGMAR1 (0.50) KMT2ASMN1; SMN2MAPTTDP1TSHR
SCHEMBL6775636 0.77 MAPT (0.48) KMT2APOLBSMN1; SMN2MAPTTDP1
SCHEMBL7104957 0.77 SIGMAR1 (0.50) KMT2APOLBSMN1; SMN2MAPTTDP1
SCHEMBL7098241 0.77 ATM (0.51) KMT2ASMN1; SMN2MAPTTDP1SIGMAR1
SCHEMBL6768751 0.76 ATM (0.57) KMT2ASMN1; SMN2MAPTTDP1SIGMAR1
SCHEMBL6768665 0.76 MAPT (0.50) KMT2ASMN1; SMN2MAPTTDP1GAA
Hydrochloric Acid SCHEMBL6768097 0.75 ATM (0.56) KMT2ASMN1; SMN2MAPTTDP1SIGMAR1
SCHEMBL6768946 0.74 SIGMAR1 (0.57) KMT2AMAPTTDP1GAATSHR

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 6 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
EP-0925300-A4 1999-06-30 EP disclosed
EP-0925300-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 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 KMT2A 3542/4885POLB 3795/4885SMN1; SMN2 104/4885
US-20020099084-A1 Pharmaceutically active compounds and methods of use ACHE, PARK7, NLN KMT2A 3542/4885POLB 3795/4885SMN1; SMN2 104/4885

“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.