SCHEMBL4841454

SCHEMBL4841454

COc1ccc2c(c1)/C(=C/C(=O)c1ccc(C#N)cc1)NC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MDM2 Q00987 2/20 0.39
CYP3A4 P08684 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALOX15 P16050 1/20 0.39
CNR1 P21554 1/20 0.39
CASP1 P29466 1/20 0.39
CNR2 P34972 1/20 0.39
CASP7 P55210 1/20 0.39
KMT2A Q03164 1/20 0.39
HSP90AA1 P07900 1/20 0.38
RAB9A P51151 1/20 0.38
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
P4HB P07237 1/20 0.37
SNCA P37840 1/20 0.36
ADAM17 P78536 1/20 0.35
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 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
SCHEMBL4844707 0.91 MDM2 (0.41) MAPTALDH1A1MDM2CYP3A4SMN1; SMN2
SCHEMBL4844569 0.90 HSP90AA1 (0.45) MAPTALDH1A1CYP3A4KMT2AHSP90AA1
SCHEMBL4844417 0.89 P4HB (0.49) MAPTALDH1A1SMN1; SMN2KMT2ARAB9A
SCHEMBL4837729 0.89 SMN1; SMN2 (0.38) MAPTALDH1A1MDM2SMN1; SMN2ALOX15
SCHEMBL4844850 0.87 MDM2 (0.41) MAPTALDH1A1MDM2CYP3A4SMN1; SMN2
SCHEMBL4844858 0.87 MDM2 (0.41) MAPTALDH1A1MDM2CYP3A4SMN1; SMN2
SCHEMBL4834766 0.86 CA1 (0.44) MAPTALDH1A1CYP3A4KMT2AHSP90AA1
SCHEMBL4838241 0.86 RAB9A (0.38) MAPTALDH1A1MDM2CYP3A4SMN1; SMN2
SCHEMBL4841845 0.85 HSP90AA1 (0.39) MAPTALDH1A1CYP3A4KMT2AHSP90AA1
SCHEMBL14181853 0.85 NPC1 (0.43) MAPTALDH1A1CYP3A4SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 US claimed
US-7378428-B2 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-27 US disclosed
US-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-10-06 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-20050222138-A1 Nitrogen-containing bicyclic compounds and drugs containing the same as the active ingredient PARK7, MMP8, CDK7 MAPT 646/4885ALDH1A1 2636/4885MDM2 1856/4885

“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.