SCHEMBL3869604

SCHEMBL3869604

Nc1cnc2ccc(OCc3ccccc3)cc2c1NCCCCNC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 6/20 0.49
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
HPGD P15428 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
EGFR P00533 1/20 0.46
ERBB2 P04626 1/20 0.46
NMT2 O60551 2/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GSR P00390 3/20 0.44
HDAC3 O15379 1/20 0.43
APP P05067 1/20 0.43
ACHE P22303 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 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
SCHEMBL1486571 0.92 BRD4 (0.43) NMT1MAPTSMN1; SMN2TP53EGFR
SCHEMBL4070831 0.85 IP6K1 (0.44) NMT1MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL1486586 0.85 MAPT (0.46) NMT1MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL1486588 0.85 MAPT (0.46) NMT1MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL1486511 0.84 NMT1 (0.44) NMT1MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL1486510 0.83 NMT1 (0.44) NMT1MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL1486598 0.83 NMT1 (0.49) NMT1MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL1950078 0.81 POLB (0.46) ALDH1A1LMNAKDM4EACHE
SCHEMBL3866418 0.81 NMT1 (0.48) NMT1MAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL4069092 0.81 HDAC1 (0.43) NMT1MAPTL3MBTL1GSRHDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658076-B1 ARYLOXY AND ARYLALKYLENEOXY SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2013-03-06 EP disclosed
US-20090018122-A1 Aryloxy and Arylalkyleneoxy Substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2009-01-15 US 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 (1 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-20090018122-A1 Aryloxy and Arylalkyleneoxy Substituted Imidazoquinolines IL2, IFNG, IRF3 NMT1 3893/4885MAPT 4765/4885SMN1; SMN2 4043/4885

“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.