SCHEMBL6729502

SCHEMBL6729502

C(#CCOCC#CCCn1cnc2cnc3ccccc3c21)CCn1cnc2cnc3ccccc3c21

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
KMT2A Q03164 3/20 0.35
POLB P06746 3/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDPK1 O15530 1/20 0.33
HTT P42858 3/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL6107128 0.79 SMN1; SMN2 (0.45) SMN1; SMN2LMNAKMT2APOLBMAPK1
SCHEMBL667481 0.76 DPP4 (0.43) SMN1; SMN2LMNATDP1KMT2APOLB
SCHEMBL6701833 0.76 SMN1; SMN2 (0.38) SMN1; SMN2LMNAKMT2APOLBMAPK1
Water SCHEMBL29438456 0.75 DPP4 (0.45) SMN1; SMN2LMNATDP1KMT2APOLB
Water SCHEMBL22718534 0.75 DPP4 (0.45) SMN1; SMN2LMNATDP1KMT2APOLB
SCHEMBL6699766 0.74 SMN1; SMN2 (0.46) SMN1; SMN2LMNAKMT2APOLBMEN1
SCHEMBL2029970 0.74 PDE4A (0.47) SMN1; SMN2LMNATDP1KMT2APOLB
SCHEMBL9603134 0.74 HTT (0.59) SMN1; SMN2TDP1KMT2APOLBMEN1
SCHEMBL30930028 0.74 CYP1A2 (0.42) SMN1; SMN2TDP1KMT2APOLBMAPK1
SCHEMBL29265624 0.74 CYP1A2 (0.42) SMN1; SMN2TDP1KMT2APOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040138248-A1 Aryl ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-07-15 US disclosed
US-6677348-B2 INDUCE CYTOKINE BIOSYNTHESIS; ANTICARCINOGENIC AGENTS, VIRICIDES 3M INNOVATIVE PROPERTIES COMPANY 2004-01-13 US disclosed
US-6670372-B2 Immunomodulators, for inducing cytokine biosynthesis in animals, and in the treatment of viral and neoplastic diseases; imidazo(4,5-c) quinoline-4-amine compounds that have an ether containing substituent at the 1-position 3M INNOVATIVE PROPERTIES COMPANY 2003-12-30 US disclosed
US-6664260-B2 Viricides; anticarcinogneic agents; induction cytokine biosynthesis 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US disclosed
US-20030065005-A1 Heterocyclic ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-04-03 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 (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-20030065005-A1 Heterocyclic ether substituted imidazoquinolines IFNG, IL2, IRF3 SMN1; SMN2 4312/4885LMNA 3958/4885TDP1 3649/4885
US-20040138248-A1 Aryl ether substituted imidazoquinolines IRF3, IFNG, MYD88 SMN1; SMN2 4018/4885LMNA 3956/4885TDP1 3780/4885

“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.