SCHEMBL21580901

SCHEMBL21580901

FC(F)C(F)c1ccc2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 3/20 0.43
CYP1A2 P05177 2/20 0.43
NOS2 P35228 1/20 0.43
BACE1 P56817 1/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HSD17B10 Q99714 1/20 0.42
S1PR3 Q99500 1/20 0.42
MAPT P10636 3/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
ACHE P22303 1/20 0.39
MGAM O43451 1/20 0.38
NPC1 O15118 6/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 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
SCHEMBL30106721 0.83 NCF1 (0.46) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL1845696 0.83 NCF1 (0.46) NCF1CYP1A2NOS2BACE1CA12
Selenium SCHEMBL32667944 0.79 NCF1 (0.43) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL9009627 0.78 NCF1 (0.50) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL2028207 0.76 S1PR3 (0.47) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL20746476 0.75 NCF1 (0.43) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL1129147 0.74 NCF1 (0.46) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL10020390 0.74 ALDH1A1 (0.53) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL827081 0.74 CYP1A2 (0.52) NCF1CYP1A2NOS2BACE1CA12
SCHEMBL3294485 0.74 NCF1 (0.46) NCF1CYP1A2NOS2BACE1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107530344-B Specific trifluoroethylquinoline analogs for the treatment of sjogren's syndrome UCB生物制药私人有限公司 2020-03-17 CN disclosed
CN-107530344-B Specific trifluoroethylquinoline analogs for the treatment of sjogren's syndrome UCB生物制药私人有限公司 2020-03-17 CN disclosed
US-10493074-B2 Specific trifluoroethyl quinoline analogue for use in the treatment of Sjögren's syndrome UCB BIOPHARMA SPRL (BE) 2019-12-03 US disclosed
CN-109364071-A A kind of drug and purposes promoting salivary secretion treatment xerostomia syndrome 李萍 2019-02-22 CN disclosed
CN-109152783-A For treating the specific trifluoroethyl quinoline analog of APDS UCB生物制药私人有限公司 2019-01-04 CN disclosed
CN-109152783-A For treating the specific trifluoroethyl quinoline analog of APDS UCB生物制药私人有限公司 2019-01-04 CN disclosed
CN-107530344-A Specific trifluoroethylquinoline analogs for the treatment of Sjogren's syndrome UCB生物制药私人有限公司 2018-01-02 CN disclosed
CN-107530344-A Specific trifluoroethylquinoline analogs for the treatment of Sjogren's syndrome UCB生物制药私人有限公司 2018-01-02 CN 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-10493074-B2 Specific trifluoroethyl quinoline analogue for use in the treatment of Sjögren's syndrome SSB, SYVN1, QARS1 NCF1 1292/4885CYP1A2 1464/4885NOS2 2071/4885

“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.