SCHEMBL4844707

SCHEMBL4844707

COc1ccc2c(c1)C(C)(C)N/C2=C\C(=O)c1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.41
MAPT P10636 4/20 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
RAB9A P51151 2/20 0.38
HSP90AA1 P07900 1/20 0.38
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
P4HB P07237 1/20 0.37
ALDH1A1 P00352 2/20 0.36
SNCA P37840 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
PARP15 Q460N3 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
SCHEMBL4841454 0.91 MAPT (0.39) MDM2MAPTCYP3A4SMN1; SMN2ALOX15
SCHEMBL4838408 0.90 HSP90AA1 (0.45) MAPTCYP3A4KMT2AHSP90AA1ALDH1A1
SCHEMBL4844850 0.87 MDM2 (0.41) MDM2MAPTCYP3A4SMN1; SMN2ALOX15
SCHEMBL4844858 0.87 MDM2 (0.41) MDM2MAPTCYP3A4SMN1; SMN2ALOX15
SCHEMBL4845745 0.85 NPC1 (0.43) MAPTCYP3A4SMN1; SMN2KMT2ARAB9A
SCHEMBL4844210 0.82 KMT2A (0.43) MDM2MAPTCYP3A4SMN1; SMN2ALOX15
SCHEMBL4844224 0.82 KMT2A (0.43) MDM2MAPTCYP3A4SMN1; SMN2ALOX15
SCHEMBL4844276 0.82 MDM2 (0.39) MDM2MAPTCYP3A4SMN1; SMN2ALOX15
SCHEMBL4838257 0.82 LMNA (0.42) MDM2MAPTCYP3A4SMN1; SMN2ALOX15
SCHEMBL4838236 0.82 LMNA (0.42) MDM2MAPTCYP3A4SMN1; SMN2ALOX15

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 MDM2 1856/4885MAPT 646/4885CYP3A4 1813/4885

“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.