Sugi Predict

Sugi Predict / Compounds / SCHEMBL835822

SCHEMBL835822

SCHEMBL835822

N=C(Cc1cccc(Cl)c1F)NO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 4/20 0.38
▸ MPO P05164 1/20 0.35
▸ HTT P42858 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ IDO1 P14902 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TAAR1 Q96RJ0 2/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ AKR1B1 P15121 1/20 0.34
▸ AKR1B10 O60218 1/20 0.33
▸ UGT1A9 O60656 1/20 0.33
▸ TRPA1 O75762 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ MT-CO2 P00403 1/20 0.33
▸ TTR P02766 1/20 0.33
▸ ALB P02768 1/20 0.33
▸ CXCL8 P10145 1/20 0.33
▸ UGT1A6 P19224 1/20 0.33
▸ UGT1A1 P22309 1/20 0.33
▸ PTGS1 P23219 1/20 0.33

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
SCHEMBL838228 0.84 PNMT (0.50) P2RX7HTTLMNAIDO1SMN1; SMN2
SCHEMBL641851 0.82 PKM (0.50) HTTLMNAIDO1SMN1; SMN2TAAR1
SCHEMBL10391426 0.79 CYP1A2 (0.45) HTTLMNAIDO1SMN1; SMN2TAAR1
SCHEMBL15862863 0.76 DPP4 (0.50) HTTLMNAIDO1SMN1; SMN2TAAR1
SCHEMBL837827 0.76 AKR1B1 (0.50) HTTLMNASMN1; SMN2TAAR1BACE1
SCHEMBL9282256 0.74 TAAR1 (0.42) MPOLMNAIDO1SMN1; SMN2TAAR1
SCHEMBL867945 0.73 AKR1B1 (0.57) AKR1B1AKR1B10UGT1A9TRPA1ABCB11
SCHEMBL641776 0.72 P2RX7 (0.40) P2RX7LMNAMEN1CYP3A4CYP2D6
SCHEMBL837381 0.72 P2RX7 (0.38) P2RX7MEN1CYP3A4CYP2D6CYP2C9
SCHEMBL17328561 0.71 P2RX7 (0.45) P2RX7LMNAAKR1B1AKR1B10UGT1A9

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-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-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 P2RX7 33/4885MPO 828/4885HTT 1515/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH P2RX7 30/4885MPO 1164/4885HTT 1081/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 P2RX7 39/4885MPO 817/4885HTT 1879/4885

“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.