SCHEMBL29938476

SCHEMBL29938476

O=C(Cl)/C=C/c1ccc(CC(=O)c2ncc[nH]2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
TBXAS1 P24557 4/20 0.36
CYP1A2 P05177 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HDAC1 Q13547 5/20 0.35
HDAC6 Q9UBN7 4/20 0.35
HDAC2 Q92769 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC3 O15379 3/20 0.35
HDAC4 P56524 3/20 0.35
HDAC7 Q8WUI4 3/20 0.35
HDAC10 Q969S8 3/20 0.35
HDAC11 Q96DB2 3/20 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
SCHEMBL29938710 0.88 CYP26A1 (0.46) KMT2ATBXAS1CYP1A2USP2LMNA
SCHEMBL20754590 0.77 CYP2D6 (0.39) KMT2ACYP1A2LMNAMEN1CYP2D6
SCHEMBL6981241 0.77 RAB9A (0.41) KMT2ANPC1RAB9AHDAC1
SCHEMBL6037395 0.76 KMT2A (0.47) KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6432858 0.75 KMT2A (0.46) KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL20746395 0.74 RAB9A (0.49) KMT2ACYP1A2LMNAMEN1NPC1
SCHEMBL20746392 0.74 RAB9A (0.49) KMT2ACYP1A2LMNAMEN1NPC1
SCHEMBL11056041 0.73 PIK3CA (0.48) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL20746574 0.72 NPC1 (0.51) KMT2ALMNAMEN1NPC1RAB9A
SCHEMBL20746436 0.71 KMT2A (0.51) KMT2ACYP1A2LMNAMEN1CYP2C19

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-11510905-B1 Pleuromutilin (E)-4-(1-imidazoylmethyl)cinnamic acid ester with anti-drug resistant bacteria activity and a method of preparing the same SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-11-29 US disclosed
US-20220354826-A1 PLEUROMUTILIN (E)-4-(1-IMIDAZOYLMETHYL )CINNAMIC ACID ESTER WITH ANTI-DRUG RESISTANT BACTERIA ACTIVITY AND A METHOD OF PREPARING THE SAME SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2022-11-10 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 (2 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-11510905-B1 Pleuromutilin (E)-4-(1-imidazoylmethyl)cinnamic acid ester with anti-drug resistant bacteria activity and a method of preparing the same PLEC, MRPL21, MIF KMT2A 3538/4885TBXAS1 3402/4885CYP1A2 2267/4885
US-20220354826-A1 PLEUROMUTILIN (E)-4-(1-IMIDAZOYLMETHYL )CINNAMIC ACID ESTER WITH ANTI-DRUG RESISTANT BACTERIA ACTIVITY AND A METHOD OF PREPARING THE SAME PLEC, MRPL21, MIF KMT2A 3538/4885TBXAS1 3402/4885CYP1A2 2267/4885

“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.