SCHEMBL4835120

SCHEMBL4835120

COc1ccc2c(c1)/C(=C/C(=O)c1cccc(NC(=O)c3c(Cl)cccc3Cl)c1)NC(C)(C)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 5/20 0.40
NPC1 O15118 4/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TGM2 P21980 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CDYL2 Q8N8U2 1/20 0.39
CDYL Q9Y232 1/20 0.39
CDY1; CDY1B Q9Y6F8 1/20 0.39
NLRP3 Q96P20 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL4835131 1.00 KMT2A (0.41) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4839972 0.95 RAB9A (0.41) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4839976 0.95 RAB9A (0.41) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4842385 0.94 RAB9A (0.45) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4842376 0.94 RAB9A (0.45) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4843413 0.92 ITGB1 (0.41) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4843421 0.92 ITGB1 (0.41) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4834466 0.92 KMT2A (0.53) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4834457 0.92 KMT2A (0.53) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4839136 0.91 KMT2A (0.42) KMT2AMEN1RAB9ANPC1ALDH1A1

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
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 4642/4885MEN1 1230/4885RAB9A 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.