Sugi Predict

Sugi Predict / Compounds / SCHEMBL288713

SCHEMBL288713

SCHEMBL288713

COCCn1c(=O)sc2ccc(Br)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 3/20 0.54
▸ RAB9A P51151 7/20 0.47
▸ NPC1 O15118 6/20 0.47
▸ SMN1; SMN2 Q16637 6/20 0.47
▸ TSHR P16473 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ L3MBTL1 Q9Y468 7/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TMEM97 Q5BJF2 3/20 0.41
▸ CYP3A4 P08684 3/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ ATM Q13315 1/20 0.40
▸ HPGD P15428 1/20 0.40

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
SCHEMBL16948321 0.84 RAB9A (0.54) SIGMAR1RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL30214703 0.83 TMEM97 (0.60) SIGMAR1RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL16932349 0.83 TMEM97 (0.60) SIGMAR1RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL26655054 0.83 SMN1; SMN2 (0.60) RAB9ANPC1SMN1; SMN2TSHRGAA
SCHEMBL2073954 0.81 SIGMAR1 (0.54) SIGMAR1RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL21991380 0.81 RAB9A (0.45) RAB9ANPC1SMN1; SMN2TSHRGAA
SCHEMBL16939094 0.81 RAB9A (0.45) SIGMAR1RAB9ANPC1SMN1; SMN2TSHR
SCHEMBL30194878 0.79 SMN1; SMN2 (0.70) RAB9ANPC1SMN1; SMN2TSHRGAA
SCHEMBL30659651 0.78 MAPT (0.48) RAB9ANPC1SMN1; SMN2TSHRGAA
SCHEMBL26654668 0.78 MAPT (0.48) RAB9ANPC1SMN1; SMN2TSHRGAA

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120329775-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 FORD RHONAN (GB) 2012-12-27 — — US disclosed
US-8193239-B2 Substituted 1-cyanoethylheterocyclylcarboxamide compounds ASTRAZENECA AB (SE) 2012-06-05 — — US disclosed
US-8193239-B2 Substituted 1-cyanoethylheterocyclylcarboxamide compounds ASTRAZENECA AB (SE) 2012-06-05 — — US disclosed
US-8193239-B2 Substituted 1-cyanoethylheterocyclylcarboxamide compounds ASTRAZENECA AB (SE) 2012-06-05 — — US disclosed
EP-2427445-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 AstraZeneca AB (SE) 2012-03-14 — — EP disclosed
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 — — US disclosed
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 — — US disclosed
US-20110201581-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2011-08-18 — — US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 — — US disclosed
US-7902181-B2 Compounds 010 ASTRAZENECA AB (SE) 2011-03-08 — — US disclosed
WO-2010128324-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 — — WO disclosed
WO-2010128324-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 — — WO disclosed
US-20100286118-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 — — US disclosed
US-20100286118-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 ASTRAZENECA AB (SE) 2010-11-11 — — US disclosed
EP-2231597-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS AstraZeneca AB (SE) 2010-09-29 — — EP disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 — — US disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 — — US disclosed
US-20090306042-A1 Novel Compounds 010 ASTRAZENECA AB (SE) 2009-12-10 — — US disclosed
WO-2009074829-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2009-06-18 — — WO disclosed
WO-2009074829-A1 PEPTIDYL NITRILES AND USE THEREOF AS DIPEPTIDYL PEPTIDASE I INHIBITORS ASTRAZENECA AB (SE) 2009-06-18 — — WO 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 (4 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-20100286118-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CNR2 SIGMAR1 350/4885RAB9A 2205/4885NPC1 261/4885
US-20090306042-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R SIGMAR1 229/4885RAB9A 940/4885NPC1 628/4885
US-20110201581-A1 Novel Compounds 010 MRGPRX2, F12, TBXA2R SIGMAR1 229/4885RAB9A 940/4885NPC1 628/4885
US-20120329775-A1 SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CNR2 SIGMAR1 350/4885RAB9A 2205/4885NPC1 261/4885

“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.