SCHEMBL16300073

SCHEMBL16300073

Cc1cccc2c1OC(C)N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 4/20 0.50
BRD4 O60885 2/20 0.50
PBRM1 Q86U86 5/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
TNKS2 Q9H2K2 1/20 0.32
NOS2 P35228 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2A6 P11509 1/20 0.31
PARP1 P09874 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
USP2 O75604 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL69971 0.76 GABRA1 (0.36) CREBBPBRD4CYP1A2CA1CA2
SCHEMBL18544829 0.74 BRD4 (0.42) CREBBPBRD4PBRM1MEN1ALDH1A1
SCHEMBL31402309 0.72 CREBBP (0.58) CREBBPBRD4CA1CA2NISCH
SCHEMBL22044267 0.71 CREBBP (0.43) CREBBPBRD4NOS2NISCH
SCHEMBL5672928 0.71 CREBBP (0.60) CREBBPBRD4PARP1
SCHEMBL7981061 0.71 CREBBP (0.53) CREBBPBRD4ALDH1A1PARP1ALOX12
SCHEMBL31402329 0.71 CREBBP (0.60) CREBBPBRD4PARP1
SCHEMBL23722589 0.68 PARP1 (0.50) CREBBPBRD4MEN1KMT2ANOS2
SCHEMBL6097831 0.68 PARP1 (0.50) CREBBPBRD4MEN1KMT2ANOS2
SCHEMBL8594076 0.68 MEN1 (0.41) CREBBPBRD4MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 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 (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-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R CREBBP 1677/4885BRD4 482/4885PBRM1 2436/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R CREBBP 1677/4885BRD4 482/4885PBRM1 2436/4885

“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.