SCHEMBL4513778

SCHEMBL4513778

CC(C)c1nc2cc(C(F)(F)F)ccc2c(=O)n1NC(=O)C(C)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
NLRP3 Q96P20 1/20 0.41
S1PR1 P21453 1/20 0.40
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.38
FFAR2 O15552 1/20 0.37
TRPV1 Q8NER1 2/20 0.37
GPR139 Q6DWJ6 2/20 0.36
CNR2 P34972 1/20 0.36
PRLHR P49683 2/20 0.36
DHODH Q02127 1/20 0.36

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
SCHEMBL30795275 1.00 PTGES (0.41) PTGESLMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL4505233 0.95 PTGES (0.41) PTGESLMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL30796404 0.95 PTGES (0.41) PTGESLMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL30795732 0.90 PTGES (0.44) PTGESLMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL4521933 0.90 PTGES (0.44) PTGESLMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL30814154 0.89 GPR139 (0.46) PTGESGPR139
SCHEMBL4520673 0.89 GPR139 (0.46) PTGESGPR139
SCHEMBL30795188 0.87 PRLHR (0.38) PTGESLMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL4518291 0.87 PRLHR (0.38) PTGESLMNASMN1; SMN2KDM4ECYP1A2
SCHEMBL30794992 0.85 GPR139 (0.48) CYP1A2CYP3A4CYP2C9CYP2C19KMT2A

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-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS 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 PTGES 2293/4885LMNA 3396/4885SMN1; SMN2 1908/4885

“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.