SCHEMBL3343006

SCHEMBL3343006

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 4/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.37
CYP2C9 P11712 2/20 0.35
MEN1 O00255 1/20 0.35
CYP2D6 P10635 1/20 0.35
ATP4A P20648 1/20 0.35
MAPK1 P28482 1/20 0.35
ATP4B P51164 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
CYP2C19 P33261 2/20 0.35

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
SCHEMBL2492380 0.86 L3MBTL1 (0.45) NPC1RAB9AL3MBTL1CYP1A2ALDH1A1
SCHEMBL3339728 0.81 NPC1 (0.41) NPC1RAB9AL3MBTL1CYP1A2TSHR
SCHEMBL3340545 0.81 NPC1 (0.41) NPC1RAB9AL3MBTL1CYP1A2TSHR
SCHEMBL3343752 0.81 NPC1 (0.38) NPC1RAB9AL3MBTL1CYP1A2CYP3A4
SCHEMBL3340388 0.81 NPC1 (0.38) NPC1RAB9AL3MBTL1CYP1A2CYP3A4
SCHEMBL12009834 0.78 GRIN1 (0.40) NPC1RAB9AL3MBTL1CYP1A2TSHR
SCHEMBL2492377 0.69 NOTUM (0.46) LMNA
SCHEMBL14124854 0.66 MAOB (0.51) L3MBTL1MAPTMAPK1XDHSTAT3
SCHEMBL19598011 0.63 STAT3 (0.55) L3MBTL1MAPTLMNAMAPK1STAT3
SCHEMBL14124883 0.63 XDH (0.56) NPC1RAB9AMEN1KMT2AXDH

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 8 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-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-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 NPC1 1275/4885RAB9A 2420/4885L3MBTL1 2231/4885
US-20100160281-A1 MONOCARBAMS MRPL21, C1R, C5AR1 NPC1 1275/4885RAB9A 2420/4885L3MBTL1 2231/4885

“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.