SCHEMBL4518291

SCHEMBL4518291

Cc1ccc(C(C)C(=O)Nn2c(C(C)C)nc3cc(C(F)(F)F)ccc3c2=O)cc1F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRLHR P49683 2/20 0.38
PTGES O14684 1/20 0.38
TRPV1 Q8NER1 7/20 0.37
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
GPR139 Q6DWJ6 3/20 0.36
ACACB O00763 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NLRP3 Q96P20 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
SCHEMBL30795188 1.00 PRLHR (0.38) PRLHRPTGESTRPV1AKR1C3AKR1C2
SCHEMBL4505233 0.89 PTGES (0.41) PTGESTRPV1GPR139KDM4ELMNA
SCHEMBL30796404 0.89 PTGES (0.41) PTGESTRPV1GPR139KDM4ELMNA
SCHEMBL30795732 0.87 PTGES (0.44) PTGESTRPV1AKR1C3AKR1C2GPR139
SCHEMBL4521933 0.87 PTGES (0.44) PTGESTRPV1AKR1C3AKR1C2GPR139
SCHEMBL4513778 0.87 PTGES (0.41) PRLHRPTGESTRPV1GPR139KDM4E
SCHEMBL30795275 0.87 PTGES (0.41) PRLHRPTGESTRPV1GPR139KDM4E
SCHEMBL30824647 0.85 KMT2A (0.46) AKR1C3AKR1C2LMNACYP1A2CYP3A4
SCHEMBL4507224 0.85 KMT2A (0.46) AKR1C3AKR1C2LMNACYP1A2CYP3A4
SCHEMBL4520673 0.84 GPR139 (0.46) PTGESGPR139

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
US-20090291973-A1 Novel Quinazoline Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2009-11-26 US claimed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 WO disclosed
US-20090291973-A1 Novel Quinazoline Derivatives and Their Medical Use NEUROSEARCH A/S (DK) 2009-11-26 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-20090291973-A1 Novel Quinazoline Derivatives and Their Medical Use KCNA7, KCNN3, KCNQ5 PRLHR 2534/4885PTGES 2293/4885TRPV1 67/4885

“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.