SCHEMBL18019671

SCHEMBL18019671

C/C(=N\[S@+]([O-])C(C)(C)C)c1ccnc(-c2ccc(F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 4/20 0.40
KDM5A P29375 4/20 0.40
KDM5B Q9UGL1 4/20 0.40
KDM4A O75164 2/20 0.40
ABL1 P00519 3/20 0.39
BCR P11274 3/20 0.39
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
TGFBR1 P36897 1/20 0.34

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
SCHEMBL19837724 1.00 KDM4C (0.40) KDM4CKDM5AKDM5BKDM4AABL1
SCHEMBL17981994 1.00 KDM4C (0.40) KDM4CKDM5AKDM5BKDM4AABL1
SCHEMBL19853121 1.00 KDM4C (0.40) KDM4CKDM5AKDM5BKDM4AABL1
SCHEMBL16533554 0.81 LMNA (0.38) KDM4EALDH1A1LMNATP53GAA
SCHEMBL18031526 0.81 LMNA (0.38) KDM4EALDH1A1LMNATP53GAA
SCHEMBL23493183 0.78 LMNA (0.43) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL20449205 0.78 LMNA (0.43) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL20528387 0.78 LMNA (0.43) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL19853244 0.76 VNN1 (0.36) ALDH1A1LMNASMN1; SMN2MEN1NPC1
SCHEMBL17981912 0.76 VNN1 (0.36) ALDH1A1LMNASMN1; SMN2MEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-02-08 US disclosed
US-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2018-02-08 US disclosed
WO-2016130396-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. (US) 2016-08-18 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-20180037568-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TPMT, TET1, DNMT1 KDM4C 91/4885KDM5A 33/4885KDM5B 54/4885

“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.