SCHEMBL15425997

SCHEMBL15425997

Cc1cccc2[nH]cc(C(=O)c3ccc(F)cc3)c(=O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TP53 P04637 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GPR84 Q9NQS5 1/20 0.43
▸ HTR1F P30939 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ BRPF1 P55201 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ NR4A2 P43354 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PBRM1 Q86U86 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ CTNNB1 P35222 1/20 0.36
▸ WNT3A P56704 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
SCHEMBL12610974 0.85 SMN1; SMN2 (0.51) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL2309708 0.79 HSD17B10 (0.55) ALDH1A1SMN1; SMN2GPR84KDM4ENPC1
SCHEMBL15425995 0.77 ALDH1A1 (0.49) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL14104483 0.74 HSD17B10 (0.64) ALDH1A1LMNATP53SMN1; SMN2KDM4E
SCHEMBL5290500 0.73 LMNA (0.43) ALDH1A1LMNATP53SMN1; SMN2NPSR1
SCHEMBL2970181 0.73 CLEC4M (0.58) ALDH1A1TP53GPR84KDM4ENR4A2
SCHEMBL9545117 0.73 GPR84 (0.69) ALDH1A1TP53SMN1; SMN2NPSR1GPR84
SCHEMBL16730912 0.71 GPR84 (0.56) GPR84NPC1NR4A2PARP1
SCHEMBL15356576 0.70 PBRM1 (0.56) ALDH1A1LMNAGPR84KDM4ENPC1
SCHEMBL3995494 0.70 GPR84 (0.51) ALDH1A1GPR84KDM4ENPC1BRPF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018384-A1 QUINOLINONE DERIVATIVES FOR USE IN THE TREATMENT OF AN AUTOIMMUNE DISEASE AND/OR AN INFLAMMATORY DISEASE PRONOXIS AB (SE) 2014-01-16 — — 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-20140018384-A1 QUINOLINONE DERIVATIVES FOR USE IN THE TREATMENT OF AN AUTOIMMUNE DISEASE AND/OR AN INFLAMMATORY DISEASE NOX4, NOX1, CYBB ALDH1A1 517/4885LMNA 3790/4885TP53 2443/4885

“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.

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