Sugi Predict

Sugi Predict / Compounds / SCHEMBL836964

SCHEMBL836964

SCHEMBL836964

NC(Cc1ccsc1)=NO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45
▸ ADRA2A P08913 2/20 0.39
▸ ADRA2B P18089 2/20 0.39
▸ ADRA2C P18825 2/20 0.39
▸ RAB9A P51151 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ SLC1A3 P43003 2/20 0.36
▸ SLC1A2 P43004 2/20 0.36
▸ SLC1A1 P43005 2/20 0.36
▸ CYP1A2 P05177 1/20 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
SCHEMBL1189465 0.75 — —
SCHEMBL10869278 0.75 — —
Hydrochloric Acid SCHEMBL7117541 0.73 CA2 (0.47) HDAC1HDAC6TAAR1RAB9APOLB
Hydrochloric Acid SCHEMBL213783 0.73 TAAR1 (0.47) HDAC1HDAC6TAAR1ADRA2AADRA2B
Hydrochloric Acid SCHEMBL6994504 0.71 MEN1 (0.37) HDAC1HDAC6TAAR1RAB9APOLB
Acetamide SCHEMBL27691010 0.71 TDP1 (0.50) TAAR1RAB9APOLBNPC1TDP1
SCHEMBL2308524 0.71 HDAC1 (0.41) HDAC1HDAC6TAAR1RAB9APOLB
SCHEMBL3368638 0.71 HDAC1 (0.41) HDAC1HDAC6TAAR1RAB9APOLB
SCHEMBL563549 0.70 HIF1A (0.57) L3MBTL1MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL1544143 0.70 — —

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 HDAC1 4162/4885HDAC6 4296/4885TAAR1 66/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH HDAC1 4403/4885HDAC6 4428/4885TAAR1 82/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 HDAC1 4170/4885HDAC6 4240/4885TAAR1 74/4885

“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.