SCHEMBL3343752

SCHEMBL3343752

O=c1[nH]nc(-c2cc(OCc3ccccc3)c(OCc3ccccc3)cn2)n1C[C@H](O)CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
MMP9 P14780 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LMNA P02545 1/20 0.35
CYP2C9 P11712 2/20 0.33
MAPK1 P28482 2/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 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
SCHEMBL3340388 1.00 NPC1 (0.38) NPC1RAB9AL3MBTL1HDAC1HDAC8
SCHEMBL3339728 0.89 NPC1 (0.41) NPC1RAB9AL3MBTL1HDAC1HDAC8
SCHEMBL3340545 0.89 NPC1 (0.41) NPC1RAB9AL3MBTL1HDAC1HDAC8
SCHEMBL2492380 0.83 L3MBTL1 (0.45) NPC1RAB9AL3MBTL1LMNACYP2C9
SCHEMBL12011157 0.82 GRIN1 (0.34) NPC1RAB9ALMNACYP2C9TP53
SCHEMBL3343006 0.81 NPC1 (0.40) NPC1RAB9AL3MBTL1LMNACYP2C9
SCHEMBL12009834 0.76 GRIN1 (0.40) NPC1RAB9AL3MBTL1LMNACYP2C9
SCHEMBL12011148 0.71 MAPT (0.33) LMNACYP2C9MAPK1KDM4EALDH1A1
SCHEMBL2492377 0.67 NOTUM (0.46) LMNA
SCHEMBL19801588 0.66 HTT (0.42) L3MBTL1LMNAMAPK1ALDH1A1MAPT

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.