SCHEMBL6120808

SCHEMBL6120808

Cc1nc(Oc2ccccc2)ccc1C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 1/20 0.64
▸ PLA2G10 O15496 1/20 0.51
▸ CTNNB1 P35222 1/20 0.50
▸ F10 P00742 7/20 0.48
▸ PARP10 Q53GL7 1/20 0.45
▸ MAPK8 P45983 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ BRD4 O60885 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ EGLN1 Q9GZT9 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ F2 P00734 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ PRSS2 P07478 1/20 0.41
▸ PRSS3 P35030 1/20 0.41
▸ ST14 Q9Y5Y6 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
SCHEMBL19808897 0.83 TDP1 (0.51) NNMTEGLN1NPC1RAB9AKDM4E
SCHEMBL6111660 0.80 OPRM1 (0.69) ALDH1A1
SCHEMBL29421563 0.78 NNMT (1.00) NNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL6309037 0.78 NNMT (1.00) NNMTNPC1RAB9AKDM4EALDH1A1
SCHEMBL18957388 0.75 BCAT2 (0.50) F10KDM4EF2ALDH1A1PRSS1
SCHEMBL11169364 0.75 MAPT (0.49) EGLN1NPC1KDM4EALDH1A1
SCHEMBL18960378 0.74 MEN1 (0.46) KDM4EALDH1A1
SCHEMBL7512459 0.74 CTNNB1 (0.45) NNMTPLA2G10CTNNB1F10PARP10
SCHEMBL11993100 0.74 NNMT (0.50) NNMTPLA2G10F10KDM4ECHEK2
SCHEMBL12500597 0.73 NNMT (0.66) NNMTMAPK8MAPK10SYKKDM4E

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-20130310379-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-11-21 — — US disclosed
WO-2012068589-A2 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2012-05-24 — — 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 (1 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-20130310379-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 NNMT 6/4885PLA2G10 2911/4885CTNNB1 4580/4885

“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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