SCHEMBL10133732

SCHEMBL10133732

O=CNc1ccc(Oc2ccccc2)nc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
LTA4H P09960 2/20 0.47
HTR2C P28335 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
OPRM1 P35372 2/20 0.42
OPRD1 P41143 2/20 0.42
OPRK1 P41145 2/20 0.42
ADAMTS4 O75173 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42

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
SCHEMBL16792399 0.78 LTA4H (0.50) LTA4HHTR2CKMT2AMEN1CASP3
SCHEMBL21459916 0.77 HTR2C (0.60) LTA4HHTR2CKMT2AMEN1CASP3
SCHEMBL4674459 0.77 ALDH1A1 (0.64) TSHRLTA4HKMT2AMEN1ALDH1A1
SCHEMBL5830741 0.77 ACACB (0.45) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL8185383 0.77 KDM4E (0.43) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL196260 0.76 KMT2A (0.51) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL19676352 0.75 KMT2A (0.50) LTA4HHTR2CKMT2AMEN1CASP3
SCHEMBL5830784 0.75 MAPT (0.43) KMT2AMEN1ALDH1A1L3MBTL1MAPT
SCHEMBL31556429 0.75 ALDH1A1 (0.71) LTA4HKMT2AALDH1A1L3MBTL1MAPT
SCHEMBL510519 0.75 ALDH1A1 (0.71) LTA4HKMT2AALDH1A1L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8115027-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2012-02-14 US disclosed
US-20100292500-A1 NPY Y5 ANTAGONIST KAWANISHI YASUYUKI 2010-11-18 US disclosed
US-7265130-B2 NPY Y5 antagonist SHIONOGI & CO., LTD. (JP) 2007-09-04 US 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 (1 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-20100292500-A1 NPY Y5 ANTAGONIST NPY5R, NPY1R, NPY2R TSHR 189/4885LTA4H 1930/4885HTR2C 198/4885

“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.