SCHEMBL5325907

SCHEMBL5325907

Fc1cc(C(F)(F)F)ccc1CCl

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.58
DAO P14920 2/20 0.46
PDE2A O00408 3/20 0.43
SLC6A4 P31645 5/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HTR2A P28223 3/20 0.39
KCNH2 Q12809 3/20 0.39
MPL P40238 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
FFAR1 O14842 1/20 0.36
PTPN5 P54829 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
PKLR P30613 1/20 0.35

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
SCHEMBL3632101 0.84 IDO1 (0.54) IDO1DAOPDE2ASLC6A4SLC6A2
SCHEMBL16758990 0.83 IDO1 (0.58) IDO1DAOPDE2ASLC6A4HTR2A
SCHEMBL10970057 0.83 IDO1 (0.41) IDO1DAO
SCHEMBL11537101 0.83 IDO1 (0.43) IDO1DAOPDE2ASLC6A4HTR2A
SCHEMBL6644304 0.82 PON1 (0.45) IDO1KDM4EPKM
SCHEMBL1873922 0.79 DAO (0.46) IDO1DAOSLC6A4HTR2AKCNH2
SCHEMBL5111503 0.79 DAO (0.46) IDO1DAOPDE2ASLC6A4HTR2A
SCHEMBL17864260 0.79 IDO1 (0.58) IDO1DAOPDE2ASLC6A4SLC6A2
SCHEMBL7977134 0.79 IDO1 (0.62) IDO1DAOPDE2ASLC6A4SLC6A2
SCHEMBL30617195 0.79 DAO (0.46) IDO1DAOPDE2ASLC6A4HTR2A

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
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 US disclosed
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 US disclosed
WO-2007130499-A2 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-11-15 WO disclosed
CN-1058963-C Triazole derivative, insecticidal/acaricidal agent, and process for producing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 2000-11-29 CN disclosed
EP-0648752-B1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-10-06 EP disclosed
US-5700824-A Triazole derivatives, insecticide, acaricide and methods thereof KUMIAI CHEMICAL INDUSTRIAL CO. LTD. (JP) 1997-12-23 US disclosed
US-5616594-A Triazole derivatives, insecticide, acaricide and methods thereof IHARA CHEMICAL INDUSTRY CO. LTD. (JP) 1997-04-01 US disclosed
CN-1105179-A Triazole derivative, insecticidal/acaricidal agent, and process for producing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1995-07-12 CN disclosed
EP-0648752-A1 TRIAZOLE DERIVATIVE, INSECTICIDAL/ACARICIDAL AGENT, AND PROCESS FOR PRODUCING THE SAME KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP 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 (2 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-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 IDO1 805/4885DAO 1249/4885PDE2A 1875/4885
US-20070287699-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 IDO1 1751/4885DAO 962/4885PDE2A 2052/4885

“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.