SCHEMBL837382

SCHEMBL837382

NC(Cc1cc(F)ccc1Cl)=NO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
P2RX7 Q99572 1/20 0.35
ANO1 Q5XXA6 1/20 0.35
CTBP2 P56545 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HTR2A P28223 3/20 0.33
SLC6A4 P31645 3/20 0.33
KCNH2 Q12809 3/20 0.33
PKM P14618 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
SGMS2 Q8NHU3 1/20 0.32

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
SCHEMBL10264195 1.00 LMNA (0.46) LMNASMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL641774 0.86 LMNA (0.42) LMNASMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL641775 0.86 LMNA (0.42) LMNASMN1; SMN2ALDH1A1CYP1A2CYP3A4
SCHEMBL836281 0.82 LMNA (0.49) LMNASMN1; SMN2ALDH1A1GRIN2B
SCHEMBL874094 0.82 LMNA (0.49) LMNASMN1; SMN2ALDH1A1GRIN2B
SCHEMBL29852214 0.79 ICMT (0.43) ALDH1A1CYP1A2CYP3A4CYP2C19P2RX7
SCHEMBL21729219 0.79 IDO1 (0.47) LMNASMN1; SMN2ALDH1A1GRIN2B
SCHEMBL641850 0.74 PKM (0.60) LMNASMN1; SMN2CTBP2PKMHTR3E
SCHEMBL641849 0.74 PKM (0.60) LMNASMN1; SMN2CTBP2PKMHTR3E
SCHEMBL838376 0.74 LMNA (0.43) LMNASMN1; SMN2ALDH1A1CYP1A2CYP3A4

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 10 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-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
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-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 740/4885ALDH1A1 514/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH LMNA 1864/4885SMN1; SMN2 782/4885ALDH1A1 856/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 LMNA 1625/4885SMN1; SMN2 761/4885ALDH1A1 600/4885

“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.