SCHEMBL3715629

SCHEMBL3715629

Nn1c(C(F)(F)F)nc2ccccc2c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
KMT2A Q03164 2/20 0.57
USP2 O75604 1/20 0.53
PTGS2 P35354 1/20 0.49
ATM Q13315 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.47
POLB P06746 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
ELANE P08246 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL30388095 1.00 KDM4E (0.58) KDM4EKMT2AUSP2PTGS2ATM
SCHEMBL5928786 0.83 KDM4E (0.63) KDM4EKMT2AUSP2PTGS2ATM
SCHEMBL16416583 0.79 NPC1 (0.54) KDM4EKMT2APTGS2ALDH1A1NPC1
SCHEMBL3709037 0.76 NPC1 (0.59) KDM4EKMT2AUSP2PTGS2ATM
SCHEMBL1663643 0.75 NOS2 (0.55) KDM4EKMT2AALDH1A1NPC1HPGD
SCHEMBL1302793 0.75 KDM4E (0.66) KDM4EKMT2AUSP2PTGS2ATM
SCHEMBL1428216 0.74 KDM4E (1.00) KDM4EKMT2AUSP2ATMALDH1A1
SCHEMBL30883267 0.74 KDM4E (1.00) KDM4EKMT2AUSP2ATMALDH1A1
SCHEMBL15362026 0.74 KDM4E (0.64) KDM4EKMT2AUSP2PTGS2ATM
SCHEMBL4140794 0.73 SMN1; SMN2 (0.60) KDM4EKMT2APTGS2ALDH1A1HPGD

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-8609674-B2 Potassium channel modulators ABBVIE INC. (US) 2013-12-17 US disclosed
WO-2012067824-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2012-05-24 WO disclosed
US-20120122890-A1 Potassium Channel Modulators ABBOTT LABORATORIES (US) 2012-05-17 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 (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-20120122890-A1 Potassium Channel Modulators KCNQ1, KCNQ2, KCNQ3 KDM4E 854/4885KMT2A 432/4885USP2 4691/4885

“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.