SCHEMBL3823152

SCHEMBL3823152

Nc1cc(C(F)(F)F)nc2ccc(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NT5E P21589 4/20 0.49
KDM4E B2RXH2 3/20 0.45
BCHE P06276 5/20 0.42
ACHE P22303 5/20 0.42
GRIN1 Q05586 5/20 0.42
GRIN2A Q12879 5/20 0.42
BACE1 P56817 1/20 0.41
HSD17B10 Q99714 1/20 0.39
MCHR1 Q99705 1/20 0.39
AXL P30530 1/20 0.39
GFER P55789 1/20 0.39
KRAS P01116 1/20 0.38
SOS1 Q07889 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
MPO P05164 1/20 0.38

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
SCHEMBL26390863 0.86 KDM4E (0.45) NT5EKDM4EBCHEACHEBACE1
SCHEMBL26425231 0.84 NT5E (0.46) NT5EKDM4EACHEBACE1HSD17B10
SCHEMBL24360047 0.81 NT5E (0.51) NT5EKDM4EBCHEACHEGRIN1
SCHEMBL26406182 0.81 CCNE2 (0.44) NT5EKDM4EACHEHSD17B10MCHR1
SCHEMBL8234615 0.81 ADRB2 (0.55) NT5EBCHEACHEGRIN1GRIN2A
SCHEMBL1536339 0.81 NT5E (0.70) NT5EKDM4EBCHEACHEGRIN1
SCHEMBL4420000 0.79 NT5E (0.49) NT5EKDM4EALDH1A1KMT2AMPO
SCHEMBL30106738 0.79 NCF1 (0.55) NT5EKDM4EACHEBACE1HSD17B10
SCHEMBL1119951 0.79 NCF1 (0.55) NT5EKDM4EACHEBACE1HSD17B10
SCHEMBL26406959 0.78 NT5E (0.57) NT5EKDM4EBCHEACHEGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
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
EP-2090566-A2 Certain phenylacetic acids and derivatives Novartis AG (CH) 2009-08-19 EP disclosed
US-7202364-B2 Certain phenylacetic acids and derivatives NOVARTIS, AG (CH) 2007-04-10 US disclosed
CN-1729157-A Substituted amino phenylacetic acids, derivatives thereof, their preparation and their use as cyclooxygenase 2 (COX-2) inhibitors NOVARTIS AG (CH) 2006-02-01 CN disclosed
EP-1567477-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS Novartis AG (CH) 2005-08-31 EP disclosed
US-20040132769-A1 Certain phenylacetic acids and derivatives NOVARTIS AG (CH) 2004-07-08 US disclosed
WO-2004048314-A1 SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS NOVARTIS AG (CH) 2004-06-10 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-20040132769-A1 Certain phenylacetic acids and derivatives CYP2A6, HCAR2, CYP2B6 NT5E 3158/4885KDM4E 3616/4885BCHE 2080/4885

“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.