SCHEMBL4152469

SCHEMBL4152469

O=C(CCCn1cnc2c[n+]([O-])c3ccccc3c21)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.39
TBXAS1 P24557 1/20 0.39
CYP2C19 P33261 2/20 0.37
EGLN3 Q9H6Z9 1/20 0.37
CYP1A2 P05177 1/20 0.37
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
RAB9A P51151 4/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37

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
SCHEMBL4148302 0.96 TBXAS1 (0.45) NPSR1SMN1; SMN2L3MBTL1MAPTTDP1
SCHEMBL1335102 0.81 CSNK2A2 (0.37) NPSR1SMN1; SMN2MAPTLMNACYP2C19
SCHEMBL4147075 0.80 SMN1; SMN2 (0.53) NPSR1SMN1; SMN2L3MBTL1MAPTTDP1
SCHEMBL10588936 0.79 ALDH1A1 (0.41) NPSR1L3MBTL1MAPTTDP1LMNA
SCHEMBL9602275 0.79 DPP4 (0.41) SMN1; SMN2MAPTTDP1LMNAEGLN3
SCHEMBL10587329 0.77 NR1I2 (0.41) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL9601900 0.77 NR1I2 (0.41) SMN1; SMN2RAB9AKMT2ANPC1MEN1
SCHEMBL9602609 0.77 HTT (0.51) KMT2AHDAC1HDAC2HDAC11HDAC8
SCHEMBL10727327 0.76 TLR7 (0.36) NPSR1SMN1; SMN2L3MBTL1MAPTTDP1
SCHEMBL4149860 0.76 SMN1; SMN2 (0.51) SMN1; SMN2L3MBTL1MAPTTDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765071-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2017-09-19 US disclosed
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2016-07-07 US disclosed
US-9328110-B2 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-05-03 US disclosed
EP-1687307-B1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2016-01-06 EP disclosed
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-10 US disclosed
EP-1687307-A4 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-06-17 EP disclosed
US-20070072893-A1 Substituted imidazo ring systems and methods 3M INNOVATIVE PROPERTIES COMPANY 2007-03-29 US disclosed
EP-1687307-A2 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M Innovative Properties Company (US) 2006-08-09 EP disclosed
WO-2005051317-A2 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-09 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 (3 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-20070072893-A1 Substituted imidazo ring systems and methods IL2, IRF3, EIF2AK2 NPSR1 2279/4885SMN1; SMN2 3448/4885L3MBTL1 2608/4885
US-20160194322-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 NPSR1 3158/4885SMN1; SMN2 3376/4885L3MBTL1 3332/4885
US-20140194628-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS IL2, IRF3, EIF2AK2 NPSR1 3158/4885SMN1; SMN2 3376/4885L3MBTL1 3332/4885

“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.