SCHEMBL5368943

SCHEMBL5368943

N#Cc1ccc(C(F)(F)F)c(Oc2ccccc2Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 13/20 0.61
SLC22A12 Q96S37 2/20 0.43
TRPV4 Q9HBA0 1/20 0.41
BCAT2 O15382 1/20 0.40
BCAT1 P54687 1/20 0.40
KIF11 P52732 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4179470 0.86 AR (0.63) ARSLC22A12TRPV4
SCHEMBL23409847 0.79 MRGPRX4 (0.47) ARSLC22A12TRPV4KIF11
SCHEMBL29788295 0.79 MRGPRX4 (0.47) ARSLC22A12TRPV4KIF11
SCHEMBL9460920 0.78 AR (0.56) ARSLC22A12
SCHEMBL14861411 0.77 AR (0.71) AR
SCHEMBL22342512 0.76 AR (1.00) AR
SCHEMBL472402 0.74 TRPV4 (0.53) ARSLC22A12TRPV4KIF11
SCHEMBL30899301 0.74 TRPV4 (0.53) ARSLC22A12TRPV4KIF11
SCHEMBL3571001 0.73 AR (0.47) ARTRPV4KIF11
SCHEMBL14570876 0.73 MRGPRX4 (0.49) ARKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100469769-C Benzyl-pyridazinons as reverse transcriptase inhibitors ROCHE PALO ALTO LLC (CH) 2009-03-18 CN disclosed
US-7189718-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-03-13 US disclosed
EP-1608629-A1 BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-28 EP disclosed
US-20040198736-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2004-10-07 US disclosed
WO-2004085406-A1 BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 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-20040198736-A1 Non-nucleoside reverse transcriptase inhibitors POLR1A, POLR2A, POLR2E AR 2411/4885SLC22A12 2830/4885TRPV4 4668/4885

“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.