SCHEMBL10074441

SCHEMBL10074441

O=C(O)c1ccc(CN2CCN(Cc3ccc(C(=O)O)cc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.62
HDAC4 P56524 1/20 0.62
KCNH2 Q12809 1/20 0.62
GAA P10253 2/20 0.58
THRB P10828 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
LMNA P02545 1/20 0.58
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HIF1A Q16665 2/20 0.56
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
NR4A1 P22736 1/20 0.56
APEX1 P27695 1/20 0.56
APOBEC3A P31941 1/20 0.56
RECQL P46063 1/20 0.56
KMT2A Q03164 1/20 0.56
APOBEC3G Q9HC16 1/20 0.56

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
SCHEMBL27519383 0.94 HDAC4 (0.71) HDAC1HDAC4KCNH2SMN1; SMN2LMNA
SCHEMBL20828408 0.92 HDAC1 (0.62) HDAC1HDAC4KCNH2GAATHRB
SCHEMBL2787677 0.92 HDAC1 (0.67) HDAC1HDAC4KCNH2ALDH1A1KDM4E
SCHEMBL65179 0.91 HDAC6 (0.69) HDAC1HDAC4KCNH2GAATHRB
SCHEMBL9610829 0.91 ALDH1A1 (0.57) HDAC1HDAC4KCNH2GAATHRB
SCHEMBL14217257 0.91 HDAC1 (0.54) HDAC1HDAC4KCNH2GAATHRB
SCHEMBL16356429 0.91 HDAC6 (0.69) HDAC1HDAC4KCNH2GAATHRB
SCHEMBL3013154 0.91 ALDH1A1 (0.61) HDAC1HDAC4KCNH2GAATHRB
SCHEMBL4424464 0.91 ALDH1A1 (0.57) HDAC1HDAC4KCNH2GAATHRB
SCHEMBL2986364 0.90 HRH3 (0.67) HDAC1ALDH1A1KDM4EHIF1AHDAC6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105017222-A Preparation method of imatinib impurity QILU TIANHE PHARMACEUTICAL CO LTD 2015-11-04 CN disclosed
US-20130203990-A1 PROCESS FOR THE PREPARATION OF IMATINIB MESYLATE DR. REDDY'S LABORATORIES, INC. (US) 2013-08-08 US disclosed
US-20130203990-A1 PROCESS FOR THE PREPARATION OF IMATINIB MESYLATE DR. REDDY'S LABORATORIES, INC. (US) 2013-08-08 US disclosed
WO-2012015999-A2 PROCESS FOR THE PREPARATION OF IMATINIB MESYLATE DR. REDDY'S LABORATORIES LTD. (IN) 2012-02-02 WO 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-20130203990-A1 PROCESS FOR THE PREPARATION OF IMATINIB MESYLATE ABL1, ABL2, PDGFRA HDAC1 4679/4885HDAC4 4675/4885KCNH2 1872/4885

“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.