SCHEMBL3603122

SCHEMBL3603122

CC(O)c1ccc(O)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.38
OGA O60502 2/20 0.36
ALDH1A1 P00352 1/20 0.36
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SMO Q99835 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
PPARG P37231 1/20 0.32
RECQL P46063 4/20 0.31
TDP1 Q9NUW8 4/20 0.31
KDM4E B2RXH2 3/20 0.31
MAPT P10636 3/20 0.31
TSHR P16473 2/20 0.31

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
SCHEMBL84395 0.84 TYR (0.40) ALDH1A1ESR1ESR2PDCD1CD274
SCHEMBL1515159 0.80 ESR1 (0.34) ESR1ESR2PDCD1CD274
SCHEMBL21142428 0.80 ESR1 (0.34) ESR1ESR2PDCD1CD274
SCHEMBL24609351 0.80 ESR1 (0.34) ESR1ESR2PDCD1CD274
SCHEMBL22273322 0.80 ESR1 (0.35) ESR1ESR2PDCD1CD274LMNA
SCHEMBL31201731 0.77 LMNA (0.40) UGT2B7OGAALDH1A1NOS3NOS1
SCHEMBL17154813 0.77 LMNA (0.40) UGT2B7OGAALDH1A1NOS3NOS1
SCHEMBL30467058 0.77 LMNA (0.40) UGT2B7OGAALDH1A1NOS3NOS1
SCHEMBL961068 0.77 LMNA (0.40) UGT2B7OGAALDH1A1NOS3NOS1
SCHEMBL17154815 0.77 LMNA (0.40) UGT2B7OGAALDH1A1NOS3NOS1

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 UGT2B7 24/4885OGA 423/4885ALDH1A1 707/4885
US-20060167053-A1 Heteroarylcarbamoylbenzene derivative GCK, GCKR, GALK1 UGT2B7 42/4885OGA 721/4885ALDH1A1 902/4885

“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.