SCHEMBL835823

SCHEMBL835823

NC(Cc1cccc(Cl)c1F)=NO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.41
CTBP2 P56545 1/20 0.39
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
PNMT P11086 2/20 0.37
ADRA2A P08913 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR1A P08908 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
MAOA P21397 1/20 0.37
ADRA1D P25100 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
SCHEMBL875533 1.00 LMNA (0.46) LMNASMN1; SMN2PKMCTBP2HTR3E
SCHEMBL838229 0.84 PNMT (0.55) LMNASMN1; SMN2PKMCTBP2HTR3E
SCHEMBL12246427 0.84 PNMT (0.55) LMNASMN1; SMN2PKMCTBP2HTR3E
SCHEMBL641850 0.82 PKM (0.60) LMNASMN1; SMN2PKMCTBP2HTR3E
SCHEMBL641849 0.82 PKM (0.60) LMNASMN1; SMN2PKMCTBP2HTR3E
SCHEMBL10391422 0.79 LMNA (0.46) LMNASMN1; SMN2PKMCTBP2HTR3E
SCHEMBL10391424 0.79 LMNA (0.46) LMNASMN1; SMN2PKMCTBP2HTR3E
SCHEMBL17328561 0.79 P2RX7 (0.45) LMNAPKMPNMTADRA2AMEN1
SCHEMBL21729216 0.76 TAAR1 (0.53) LMNASMN1; SMN2ADRA2AMEN1CYP3A4
SCHEMBL6022786 0.76 TAAR1 (0.53) LMNASMN1; SMN2ADRA2AMEN1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 US 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
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US 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
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 LMNA 1600/4885SMN1; SMN2 740/4885PKM 2285/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH LMNA 1864/4885SMN1; SMN2 782/4885PKM 2717/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 LMNA 1625/4885SMN1; SMN2 761/4885PKM 2329/4885

“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.