SCHEMBL2492380

SCHEMBL2492380

CCn1c(-c2cc(OCc3ccccc3)c(OCc3ccccc3)cn2)n[nH]c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
LMNA P02545 1/20 0.41
HTT P42858 2/20 0.39
STAT3 P40763 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
BRD4 O60885 1/20 0.39
MAPK1 P28482 4/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK14 Q16539 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
SCHEMBL3339728 0.86 NPC1 (0.41) L3MBTL1NPC1RAB9ALMNAHTT
SCHEMBL3340545 0.86 NPC1 (0.41) L3MBTL1NPC1RAB9ALMNAHTT
SCHEMBL3343006 0.86 NPC1 (0.40) L3MBTL1NPC1RAB9ALMNAHTT
SCHEMBL3343752 0.83 NPC1 (0.38) L3MBTL1NPC1RAB9ALMNAHTT
SCHEMBL3340388 0.83 NPC1 (0.38) L3MBTL1NPC1RAB9ALMNAHTT
SCHEMBL12009834 0.83 GRIN1 (0.40) L3MBTL1NPC1RAB9ALMNAHTT
SCHEMBL2492377 0.71 NOTUM (0.46) LMNA
SCHEMBL22322658 0.71 KMT2A (0.44) L3MBTL1NPC1RAB9ALMNAALDH1A1
SCHEMBL25271059 0.70 ALDH1A1 (0.47) L3MBTL1LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL12011148 0.69 MAPT (0.33) LMNAALDH1A1KDM4ECYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324198-B1 Monocarbams PFIZER INC. (US) 2012-12-04 US disclosed
US-8324198-B1 Monocarbams PFIZER INC. (US) 2012-12-04 US disclosed
US-8324198-B1 Monocarbams PFIZER INC. (US) 2012-12-04 US disclosed
US-20120289455-A1 Monocarbams PFIZER INC. 2012-11-15 US disclosed
US-20120289455-A1 Monocarbams PFIZER INC. 2012-11-15 US disclosed
US-20120289455-A1 Monocarbams PFIZER INC. 2012-11-15 US disclosed
US-8252782-B2 Monocarbams PFIZER INC. (US) 2012-08-28 US disclosed
US-8252782-B2 Monocarbams PFIZER INC. (US) 2012-08-28 US disclosed
US-8252782-B2 Monocarbams PFIZER INC. (US) 2012-08-28 US disclosed
EP-2379546-A1 MONOCARBAMS Pfizer Inc. (US) 2011-10-26 EP disclosed
WO-2010070523-A1 MONOCARBAMS PFIZER INC. (US) 2010-06-24 WO disclosed
US-20100160281-A1 MONOCARBAMS PFIZER INC 2010-06-24 US disclosed
US-20100160281-A1 MONOCARBAMS PFIZER INC 2010-06-24 US disclosed
US-20100160281-A1 MONOCARBAMS PFIZER INC 2010-06-24 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-20120289455-A1 Monocarbams MRPL21, C1R, C5AR1 L3MBTL1 2231/4885NPC1 1275/4885RAB9A 2420/4885
US-20100160281-A1 MONOCARBAMS MRPL21, C1R, C5AR1 L3MBTL1 2231/4885NPC1 1275/4885RAB9A 2420/4885

“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.