SCHEMBL3602828

SCHEMBL3602828

COCOc1cc(Oc2ccc(C#N)cc2)cc(C(=O)OC)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
MAPT P10636 4/20 0.46
RAB9A P51151 4/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46
IL18 Q14116 1/20 0.46
ALDH1A1 P00352 1/20 0.45
EGLN2 Q96KS0 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
SCN9A Q15858 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL25314649 0.86 PARP15 (0.57) PARP15PARP10PARP2MAPTRAB9A
SCHEMBL3607988 0.84 MAPT (0.51) MAPTRAB9APOLBLMNAALDH1A1
SCHEMBL12487393 0.84 MAPT (0.42) MAPTRAB9APOLBKDM4ELMNA
SCHEMBL3611844 0.82 ALDH1A1 (0.51) PARP10MAPTRAB9APOLBKDM4E
SCHEMBL644054 0.82 CA1 (0.48) MAPTRAB9APOLBKDM4ELMNA
SCHEMBL2086052 0.81 CA12 (0.53) PARP15PARP10PARP2MAPTRAB9A
SCHEMBL3600051 0.81 SMN1; SMN2 (0.55) MAPTRAB9APOLBALDH1A1USP2
SCHEMBL3603132 0.81 GCK (0.48) MMP2
SCHEMBL2086667 0.81 GCK (0.50) PARP15PARP10PARP2
SCHEMBL25314031 0.81 CA1 (0.53) PARP15PARP10PARP2MAPTRAB9A

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 PARP15 3054/4885PARP10 2656/4885PARP2 3173/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 PARP15 2663/4885PARP10 2883/4885PARP2 3078/4885

“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.