SCHEMBL5241720

SCHEMBL5241720

Cc1sc2cc(O)ccc2c1C(=O)NC1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.50
▸ NPC1 O15118 5/20 0.50
▸ MAOB P27338 2/20 0.47
▸ ESR1 P03372 2/20 0.46
▸ ESR2 Q92731 1/20 0.45
▸ POLB P06746 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TAS1R3 Q7RTX0 3/20 0.40
▸ TAS1R1 Q7RTX1 3/20 0.40
▸ TAS1R2 Q8TE23 3/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC2 Q92769 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ NCOR2 Q9Y618 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ MAPK11 Q15759 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39

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
SCHEMBL5304447 0.83 NPC1 (0.52) RAB9ANPC1MAOBPOLBMAPT
SCHEMBL5244202 0.81 ESR1 (0.48) MAOBESR1ESR2HDAC3HDAC1
SCHEMBL14409856 0.81 MAOB (0.49) MAOBESR1ESR2HDAC3HDAC1
SCHEMBL1616936 0.76 ESR1 (0.51) ESR1ESR2HDAC3HDAC1HDAC2
SCHEMBL5241179 0.76 ESR1 (0.48) ESR1ESR2L3MBTL1MAPTHPGD
SCHEMBL32664128 0.73 PKM (0.52) RAB9ANPC1MAOBPOLBMAPT
SCHEMBL5240393 0.72 HTR3A (0.47) RAB9ANPC1POLBHPGDTAS1R3
SCHEMBL5457824 0.72 RAB9A (0.43) RAB9ANPC1MAOBESR1ESR2
SCHEMBL1618169 0.71 KDR (0.64) RAB9ANPC1MAOBESR1POLB
SCHEMBL5458996 0.70 RAB9A (0.43) RAB9ANPC1MAOBESR1ESR2

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-1515975-B1 BENZOFUSED HETEROARYL AMIDE DERIVATIVES OF THIENOPYRIDINES USEFUL AS THERAPEUTIC AGENTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS FOR THEIR USE PFIZER (US) 2007-09-19 — — EP disclosed
EP-1515975-B1 BENZOFUSED HETEROARYL AMIDE DERIVATIVES OF THIENOPYRIDINES USEFUL AS THERAPEUTIC AGENTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS FOR THEIR USE PFIZER (US) 2007-09-19 — — EP disclosed
WO-2007026221-A2 IMPROVED METHODS FOR PREPARING BENZOFUSED HETEROARYL AMIDE DERIVATIVES OF THIENOPYRIDINES PFIZER INC. (US) 2007-03-08 — — WO disclosed
US-7045528-B2 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2006-05-16 — — US disclosed
US-20060079548-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2006-04-13 — — US disclosed
EP-1515975-A1 BENZOFUSED HETEROARYL AMIDE DERIVATIVES OF THIENOPYRIDINES USEFUL AS THERAPEUTIC AGENTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS FOR THEIR USE PFIZER INC. (US) 2005-03-23 — — EP disclosed
US-6869962-B2 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. (US) 2005-03-22 — — US disclosed
US-20040186126-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-09-23 — — US disclosed
US-20040009965-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-01-15 — — US disclosed
WO-2003106462-A1 BENZOFUSED HETEROARYL AMIDE DERIVATIVES OF THIENOPYRIDINES USEFUL AS THERAPEUTIC AGENTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS FOR THEIR USE PFIZER INC. (US) 2003-12-24 — — 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 (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-20040186126-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use DPYD, DHFR, TYMP RAB9A 1814/4885NPC1 2092/4885MAOB 583/4885
US-20040009965-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use DPYD, DHFR, TYMP RAB9A 1814/4885NPC1 2092/4885MAOB 583/4885
US-20060079548-A1 Benzofused heterozryl amide derivatives of thienopyridines useful as therapeutic agents, pharmaceutical compositions including the same, and methods for their use TPD52L2, DPYD, CCND2 RAB9A 2819/4885NPC1 2799/4885MAOB 751/4885

“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.

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