SCHEMBL3604491

SCHEMBL3604491

COCOc1cc(Oc2ccc(CNC(=O)OC)cc2)cc(C(=O)OC)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK14 Q16539 1/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
USP2 O75604 1/20 0.37

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
SCHEMBL3601941 0.84 CA1 (0.47) TSHRALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL3607988 0.81 MAPT (0.51) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL12487393 0.81 MAPT (0.42) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL3611844 0.79 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL3602828 0.79 PARP15 (0.47) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL644054 0.79 CA1 (0.48) TSHRALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL3603132 0.78 GCK (0.48)
SCHEMBL3600051 0.78 SMN1; SMN2 (0.55) ALDH1A1MAPTSMN1; SMN2HPGDNPC1
SCHEMBL3604464 0.77 MAPT (0.38) TSHRALDH1A1MAPTSMN1; SMN2MEN1
SCHEMBL3609653 0.76 MAPT (0.38) TSHRMAPTSMN1; SMN2KMT2ALMNA

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 TSHR 2079/4885ALDH1A1 707/4885MAPT 4717/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 TSHR 3647/4885ALDH1A1 902/4885MAPT 3837/4885

“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.