SCHEMBL12745859

SCHEMBL12745859

Cc1cccc(C(=O)c2nnc(C)o2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ PARP1 P09874 1/20 0.47
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ KCNK3 O14649 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ KCNK9 Q9NPC2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ ENPP3 O14638 1/20 0.41
▸ ALPL P05186 1/20 0.41

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
SCHEMBL12745857 0.91 CNR2 (0.45) POLBPARP1SMN1; SMN2KMT2AMEN1
SCHEMBL1172431 0.83 CES2 (0.54) PARP1SMN1; SMN2KMT2AMEN1CNR2
SCHEMBL29503529 0.76 PARP1 (0.68) POLBPARP1HDAC8HDAC6SMN1; SMN2
SCHEMBL186545 0.76 PARP1 (0.68) POLBPARP1HDAC8HDAC6SMN1; SMN2
SCHEMBL15264066 0.74 PARP1 (0.65) POLBPARP1HDAC8HDAC6SMN1; SMN2
SCHEMBL21348773 0.74 KMT2A (0.56) POLBSMN1; SMN2KMT2AKCNK3KCNH2
SCHEMBL822041 0.73 PARP1 (0.63) POLBPARP1HDAC8HDAC6SMN1; SMN2
SCHEMBL81347 0.71 ATM (0.71) POLBPARP1HDAC8HDAC6SMN1; SMN2
SCHEMBL11615210 0.71 PARP1 (0.61) POLBPARP1HDAC8HDAC6SMN1; SMN2
SCHEMBL29658753 0.71 ATM (0.71) POLBPARP1HDAC8HDAC6SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity NORTHEASTERN UNIVERSITY (US) 2011-03-24 — — US disclosed
US-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY NORTHEASTERN UNIVERSITY (US) 2011-02-17 — — 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-20110039874-A1 MONOACYLGLYCEROL LIPASE INHIBITORS FOR MODULATION OF CANNABINOID ACTIVITY MGLL, FAAH, FAAH2 POLB 3761/4885PARP1 3640/4885HDAC8 1147/4885
US-20110071178-A1 Methods and Compounds for Modulating Cannabinoid Activity FAAH, FAAH2, CNR2 POLB 3850/4885PARP1 3575/4885HDAC8 699/4885

“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.

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