Sugi Predict

Sugi Predict / Compounds / SCHEMBL584850

SCHEMBL584850

SCHEMBL584850

CC(=O)Nc1ccc(NCC2CCC(F)(F)CC2)c(N)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 2/20 0.46
▸ HDAC1 Q13547 8/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ HDAC2 Q92769 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ NCOR2 Q9Y618 1/20 0.41
▸ PIK3C3 Q8NEB9 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ LIPC P11150 1/20 0.36
▸ LIPG Q9Y5X9 1/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ ANO1 Q5XXA6 1/20 0.35
▸ RORC P51449 1/20 0.35

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
SCHEMBL3923613 0.89 PTGER4 (0.47) PTGER4HDAC1HDAC2HDAC3NCOR2
SCHEMBL5881733 0.89 PTGER4 (0.56) PTGER4HDAC1TDP1HDAC2HDAC3
SCHEMBL10048485 0.89 PTGER4 (0.47) PTGER4HDAC1HDAC2ALDH1A1LIPC
SCHEMBL10048290 0.87 MAPK14 (0.39) PTGER4PIK3C3ALDH1A1MAPK14LIPC
SCHEMBL584389 0.86 PTGER4 (0.51) PTGER4HDAC1TDP1HDAC2HDAC3
SCHEMBL3970983 0.85 PTGER4 (0.50) PTGER4HDAC1TDP1HDAC2HDAC3
SCHEMBL1609124 0.83 PTGER4 (0.48) PTGER4HDAC1TDP1HDAC2HDAC3
SCHEMBL10048007 0.83 HTT (0.42) TDP1PIK3C3ALDH1A1MAPK14LIPC
SCHEMBL13699497 0.82 NAMPT (0.46) TDP1ALDH1A1NAMPTNPC1RORC
SCHEMBL584707 0.82 HTT (0.55) TDP1ALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797077-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2012-02-15 — — EP disclosed
EP-1797077-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2012-02-15 — — EP disclosed
US-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 — — US disclosed
US-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 — — US disclosed
US-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 — — US disclosed
CN-101052639-B Benzimidazole derivatives, composition containing thereof, its preparation method and application ASTRAZENECA AB SE 2010-10-27 — — CN disclosed
US-20100022610-A1 New Crystalline Forms BOHLIN MARTIN 2010-01-28 — — US disclosed
US-20100022610-A1 New Crystalline Forms BOHLIN MARTIN 2010-01-28 — — US disclosed
US-20100022610-A1 New Crystalline Forms BOHLIN MARTIN 2010-01-28 — — US disclosed
US-7615642-B2 Therapeutic compounds ASTRAZENECA AB (SE) 2009-11-10 — — US disclosed
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management ASTRAZENECA AB (SE) 2007-10-18 — — US disclosed
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management ASTRAZENECA AB (SE) 2007-10-18 — — US disclosed
CN-101052639-A Benzimidazole derivatives, composition containing thereof, its preparation method and application ASTRAZENECA AB (SE) 2007-10-10 — — CN disclosed
WO-2007108754-A1 CRYSTALLINE FORMS OF N- {2-TERT -BUTYL -1- [ (4,4- DIF LUOROCYCLOHEXYL) METHYL] -LH-BENZIMIDAZOL-5- YL}ETHANESULFONAMIDE SALTS ASTRAZENECA AB (SE) 2007-09-27 — — WO disclosed
US-20070225346-A1 Crystalline Forms ASTRAZENECA AB (SE) 2007-09-27 — — US disclosed
US-20070225346-A1 Crystalline Forms ASTRAZENECA AB (SE) 2007-09-27 — — US disclosed
US-20070225346-A1 Crystalline Forms ASTRAZENECA AB (SE) 2007-09-27 — — US disclosed
EP-1797077-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I AstraZeneca AB (SE) 2007-06-20 — — EP disclosed
US-20060264490-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2006-11-23 — — US disclosed
WO-2006033631-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2006-03-30 — — 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 (5 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-20060264490-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I F12, C1S, C1R PTGER4 102/4885HDAC1 985/4885TDP1 3049/4885
US-20110086853-A1 Therapeutic Compounds OPRL1, F12, F3 PTGER4 76/4885HDAC1 699/4885TDP1 3637/4885
US-20070244092-A1 N-Cyclopropyl-1-{[2-(1,1-difluoroethyl)-1-(tetrahydro-2H-pyran-4-ylmethyl)-1H-benzimidazol-5-yl]sulfonyl}-1H-pyrrole-3-carboxamide; for pain management OPRM1, OPRL1, OPRK1 PTGER4 39/4885HDAC1 750/4885TDP1 2304/4885
US-20100022610-A1 New Crystalline Forms ME1, TST, FH PTGER4 4708/4885HDAC1 408/4885TDP1 809/4885
US-20070225346-A1 Crystalline Forms TST, ME1, FH PTGER4 4752/4885HDAC1 500/4885TDP1 501/4885

“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.