SCHEMBL3593389

SCHEMBL3593389

CNC(=O)c1ccc(Oc2cc(OC(C)C)cc(C(=O)OC)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TSHR P16473 1/20 0.58
HTT P42858 1/20 0.58
MMP13 P45452 2/20 0.52
PLK1 P53350 2/20 0.49
GCK P35557 5/20 0.47
S1PR2 O95136 2/20 0.44
KCNH2 Q12809 1/20 0.44
RAF1 P04049 1/20 0.43
ARAF P10398 1/20 0.43
BRAF P15056 1/20 0.43
HDAC1 Q13547 1/20 0.43
USP2 O75604 1/20 0.43
KMT2A Q03164 1/20 0.42
MCL1 Q07820 2/20 0.41
BCL2 P10415 1/20 0.41
MDM2 Q00987 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL3601411 0.86 KMT2A (0.59) GCKKCNH2USP2KMT2AALDH1A1
SCHEMBL2652813 0.84 GCK (0.44) SMN1; SMN2GCKKCNH2USP2KMT2A
SCHEMBL9072522 0.84 USP2 (0.48) SMN1; SMN2GCKKCNH2BRAFHDAC1
SCHEMBL1261462 0.83 GCK (0.57) SMN1; SMN2TSHRGCKUSP2KMT2A
SCHEMBL3599562 0.82 GCK (0.42) GCKKCNH2USP2KMT2AALDH1A1
SCHEMBL3610668 0.82 GCK (0.42) SMN1; SMN2TSHRHTTGCKKCNH2
SCHEMBL3599003 0.82 ALDH1A3 (0.54) GCKKCNH2USP2KMT2AALDH1A1
SCHEMBL1107694 0.81 CA1 (0.50) TSHRHTTUSP2KMT2AKDM4E
SCHEMBL2657569 0.81 GCK (0.43) GCKKCNH2USP2KMT2AALDH1A1
SCHEMBL3599838 0.81 LOXL2 (0.54) GCKUSP2

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 HPGD 2765/4885SMN1; SMN2 4432/4885TSHR 2079/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 HPGD 1277/4885SMN1; SMN2 4329/4885TSHR 3647/4885

“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.