SCHEMBL23915516

SCHEMBL23915516

O=C(O)Cc1nn(C2CCCC2)c(=O)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.56
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
ABCB1 P08183 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
ALPL P05186 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ADRA1A P35348 4/20 0.49
HRH1 P35367 4/20 0.49
ADRA1B P35368 4/20 0.49
ADRA2A P08913 2/20 0.49
CHRM1 P11229 2/20 0.49
ADRA2B P18089 2/20 0.49
HTR2A P28223 2/20 0.49
DRD3 P35462 2/20 0.49
OPRM1 P35372 2/20 0.49
HRH3 Q9Y5N1 2/20 0.49

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
SCHEMBL23914746 0.97 MAPT (0.56) MAPTPOLBSMN1; SMN2LMNAALDH1A1
SCHEMBL23909085 0.94 MAPT (0.58) MAPTPOLBABCB1ADRA1AHRH1
SCHEMBL23915509 0.85 SMN1; SMN2 (0.52) MAPTSMN1; SMN2LMNAALDH1A1ABCB1
SCHEMBL23914636 0.80 SMN1; SMN2 (0.50) MAPTPOLBSMN1; SMN2LMNAALDH1A1
SCHEMBL23914926 0.77 MAPT (0.48) MAPTPOLBSMN1; SMN2LMNAALDH1A1
SCHEMBL23913685 0.76 MAPT (0.64) MAPTPOLBTSHRHRH1HRH3
SCHEMBL23909121 0.76 NPC1 (0.47) MAPTPOLBSMN1; SMN2LMNAALDH1A1
SCHEMBL23915524 0.76 MAPT (0.67) MAPTPOLBTSHRAKR1B1PTGDR2
SCHEMBL23966505 0.74 MAPT (0.43) MAPTPOLBSMN1; SMN2LMNAALDH1A1
SCHEMBL22721908 0.74 ABCB1 (0.44) SMN1; SMN2LMNAABCB1ADRA1AHRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 MAPT 4876/4885POLB 3606/4885SMN1; SMN2 2920/4885

“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.