SCHEMBL4835401

SCHEMBL4835401

COc1ccc2c(c1)C(=CC(=O)c1ccc(C#N)cc1)NC(C)(C)C2O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
HSP90AA1 P07900 1/20 0.37
RAB9A P51151 1/20 0.37
P4HB P07237 1/20 0.37
MDM2 Q00987 2/20 0.36
MAPT P10636 3/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 1/20 0.36
CNR1 P21554 1/20 0.36
CASP1 P29466 1/20 0.36
CNR2 P34972 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SNCA P37840 1/20 0.36
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 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
SCHEMBL4835389 1.00 KMT2A (0.38) KMT2AHSP90AA1RAB9AP4HBMDM2
SCHEMBL4841011 0.91 HSP90AA1 (0.44) KMT2AHSP90AA1RAB9AMAPTCYP3A4
SCHEMBL4841025 0.91 HSP90AA1 (0.44) KMT2AHSP90AA1RAB9AMAPTCYP3A4
SCHEMBL4839825 0.87 HSP90AA1 (0.39) KMT2AHSP90AA1RAB9AMAPTCYP3A4
SCHEMBL4839837 0.87 HSP90AA1 (0.39) KMT2AHSP90AA1RAB9AMAPTCYP3A4
SCHEMBL4844220 0.84 MAOA (0.46) KMT2AHSP90AA1RAB9AMAPTSMN1; SMN2
SCHEMBL4844226 0.84 MAOA (0.46) KMT2AHSP90AA1RAB9AMAPTSMN1; SMN2
SCHEMBL4841454 0.81 MAPT (0.39) KMT2AHSP90AA1RAB9AP4HBMDM2
SCHEMBL4844858 0.80 MDM2 (0.41) KMT2AHSP90AA1RAB9AP4HBMDM2
SCHEMBL4844850 0.80 MDM2 (0.41) KMT2AHSP90AA1RAB9AP4HBMDM2

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 KMT2A 4642/4885HSP90AA1 2527/4885RAB9A 2220/4885

“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.