SCHEMBL837167

SCHEMBL837167

CC(C)(C(=N)NO)c1cccc(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
C1S P09871 1/20 0.39
HDAC4 P56524 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL18603137 0.81 CYP19A1 (0.38) MEN1KMT2ASMN1; SMN2ALDH1A1KIF11
SCHEMBL20669650 0.81 MEN1 (0.39) MEN1KMT2ASMN1; SMN2C1SHDAC4
SCHEMBL5327804 0.79 HDAC3 (0.48) KMT2AHDAC4HDAC3HDAC8HDAC6
SCHEMBL826639 0.74 KMT2A (0.45) MEN1KMT2ASMN1; SMN2HDAC4HDAC3
SCHEMBL10400273 0.74 PTPN1 (0.41)
SCHEMBL20669652 0.74 MEN1 (0.39) MEN1KMT2ASMN1; SMN2HDAC4HDAC3
SCHEMBL31121937 0.74 CNR1 (0.47) MEN1KMT2ASMN1; SMN2HDAC4HDAC3
SCHEMBL1866251 0.74 CNR1 (0.47) MEN1KMT2ASMN1; SMN2HDAC4HDAC3
SCHEMBL3940386 0.73 KMT2A (0.44) MEN1KMT2ASMN1; SMN2HDAC4HDAC3
SCHEMBL16056375 0.73 KMT2A (0.60) MEN1KMT2ASMN1; SMN2C1SHDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272848-B1 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 US disclosed
EP-2272848-A1 Xanthine derivatives as selective HM74A agonists Glaxosmithkline LLC (US) 2011-01-12 EP disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 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 (3 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-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, XDH, GPR88 MEN1 2432/4885KMT2A 2469/4885SMN1; SMN2 740/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH MEN1 2894/4885KMT2A 2167/4885SMN1; SMN2 782/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 MEN1 2661/4885KMT2A 2745/4885SMN1; SMN2 761/4885

“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.