SCHEMBL3828474

SCHEMBL3828474

Nc1cc(C(F)(F)F)nc2cc(C(F)(F)F)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.45
EPHX2 P34913 1/20 0.42
SCN4A P35499 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 1/20 0.41
CTSD P07339 1/20 0.41
PARP1 P09874 1/20 0.41
LMNA P02545 1/20 0.40
KIF11 P52732 2/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
MCHR1 Q99705 1/20 0.39
NT5E P21589 1/20 0.38
NOS3 P29474 1/20 0.38
NOS2 P35228 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL3850835 1.00 BACE1 (0.45) BACE1EPHX2SCN4AKDM4EALDH1A1
SCHEMBL26390863 0.83 KDM4E (0.45) BACE1KDM4EALDH1A1KMT2ANT5E
SCHEMBL26406670 0.81 ADRB2 (0.45) KDM4EALDH1A1KMT2ALMNANT5E
SCHEMBL3822947 0.81 NR4A2 (0.58) EPHX2KDM4EALDH1A1KMT2ALMNA
SCHEMBL3826784 0.81 NT5E (0.54) BACE1EPHX2SCN4AKDM4EPARP1
SCHEMBL19209591 0.81 CTSD (0.41) BACE1EPHX2SCN4AKDM4EALDH1A1
SCHEMBL11829749 0.79 KDM4E (0.41) BACE1EPHX2SCN4AKDM4EALDH1A1
SCHEMBL11133397 0.79 KDM4E (0.49) BACE1KDM4EKMT2ACTSDPARP1
SCHEMBL11831263 0.79 NT5E (0.45) BACE1EPHX2SCN4AKDM4EALDH1A1
SCHEMBL30106738 0.79 NCF1 (0.55) BACE1KDM4EALDH1A1KMT2ALMNA

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
EP-1567477-B1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2009-09-09 EP disclosed
US-7202364-B2 Certain phenylacetic acids and derivatives NOVARTIS, AG (CH) 2007-04-10 US disclosed
US-20040132769-A1 Certain phenylacetic acids and derivatives NOVARTIS AG (CH) 2004-07-08 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-20040132769-A1 Certain phenylacetic acids and derivatives CYP2A6, HCAR2, CYP2B6 BACE1 4554/4885EPHX2 377/4885SCN4A 1611/4885

“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.