SCHEMBL3612554

SCHEMBL3612554

CC(=O)NCc1ccc([O])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.66
HDAC1 Q13547 5/20 0.61
HDAC6 Q9UBN7 2/20 0.61
MAPT P10636 4/20 0.59
ALDH1A1 P00352 2/20 0.59
RAB9A P51151 2/20 0.59
POLB P06746 1/20 0.59
HDAC3 O15379 4/20 0.51
HDAC2 Q92769 4/20 0.51
VHL P40337 1/20 0.49
HDAC8 Q9BY41 3/20 0.47
HDAC4 P56524 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
KDM4E B2RXH2 3/20 0.47
PTPN1 P18031 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46

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
SCHEMBL12133623 0.91 KMT2A (0.76) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL15947376 0.83 KMT2A (0.66) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL3612557 0.83 KMT2A (0.66) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL171709 0.83 KMT2A (0.66) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL1951513 0.83 KMT2A (0.66) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL885068 0.83 KMT2A (0.66) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL1800569 0.81 KMT2A (0.63) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL17123630 0.81 KMT2A (0.63) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL5987795 0.81 MAPT (0.68) KMT2AHDAC1HDAC6MAPTALDH1A1
SCHEMBL196487 0.81 KMT2A (0.70) KMT2AHDAC1HDAC6MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754743-B2 Heteroarylcarbamoylbenzene derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-07-13 US disclosed
US-20090018056-A1 Heteroarylcarbamoylbenzene derivatives MSD K.K. (JP) 2009-01-15 US disclosed
US-7432287-B2 Heteroarylcarbamoylbenzene derivative BANYU PHARMECEUTICAL CO., LTD. (JP) 2008-10-07 US disclosed
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative MSD K.K. (JP) 2006-07-27 US disclosed
EP-1600442-A1 HETEROARYLCARBAMOYLBENZENE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-11-30 EP 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-20090018056-A1 Heteroarylcarbamoylbenzene derivatives GCK, GCKR, KHK KMT2A 1536/4885HDAC1 346/4885HDAC6 1510/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 KMT2A 3162/4885HDAC1 696/4885HDAC6 1404/4885

“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.