SCHEMBL4844244

SCHEMBL4844244

COc1ccc2c(c1)/C(=C/C(=O)c1cccc(NC(=O)OC(C)C)c1)NC(C)(C)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
NPC1 O15118 6/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
ALOX15 P16050 1/20 0.39
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 4/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TP53 P04637 2/20 0.37
LMNA P02545 3/20 0.37
KDM4E B2RXH2 1/20 0.37
NLRP3 Q96P20 1/20 0.37
PKM P14618 1/20 0.37
CYP3A4 P08684 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
SCHEMBL4844254 1.00 KMT2A (0.42) KMT2ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4843833 0.90 CYP1A2 (0.48) KMT2ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4843847 0.90 CYP1A2 (0.48) KMT2ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4844822 0.90 MAPT (0.44) KMT2ANPC1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL4844801 0.90 MAPT (0.44) KMT2ANPC1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL4844478 0.89 KMT2A (0.40) KMT2ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4844488 0.89 KMT2A (0.40) KMT2ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4839725 0.89 RAB9A (0.51) KMT2ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4839736 0.89 RAB9A (0.51) KMT2ANPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4837741 0.89 RAB9A (0.52) KMT2ANPC1RAB9ASMN1; SMN2HTT

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 4642/4885NPC1 985/4885RAB9A 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.