SCHEMBL1998524

SCHEMBL1998524

[NH]C(=O)OCc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
ATM Q13315 1/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
PARP10 Q53GL7 1/20 0.51
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
FFAR1 O14842 1/20 0.48
AKR1B1 P15121 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
ACP3 P15309 1/20 0.47
LMNA P02545 2/20 0.47
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47

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
SCHEMBL28702056 0.85 TDP1 (0.56) EPHX1TDP1ATMMEN1KMT2A
SCHEMBL21372579 0.85 TDP1 (0.56) EPHX1TDP1ATMMEN1KMT2A
SCHEMBL2575314 0.84 EPHX1 (0.55) EPHX1TDP1ATMMEN1KMT2A
SCHEMBL2575317 0.84 TDP1 (0.59) EPHX1TDP1ATMMEN1KMT2A
SCHEMBL6421718 0.83 TDP1 (0.50) TDP1ATMMEN1KMT2AACP3
SCHEMBL5933380 0.82 EPHX1 (0.54) EPHX1TDP1ATMMEN1KMT2A
SCHEMBL5933367 0.82 EPHX1 (0.54) EPHX1TDP1ATMMEN1KMT2A
SCHEMBL5077569 0.82 EPHX1 (0.54) EPHX1TDP1ATMMEN1KMT2A
SCHEMBL1998527 0.82 MEN1 (0.59) EPHX1TDP1ATMMEN1KMT2A
SCHEMBL487420 0.82 KMT2A (0.55) EPHX1TDP1ATMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6972294-B1 Compounds, their preparation and use NOVO NORDISK, A/S (DK) 2005-12-06 US claimed
EP-1435352-A2 9-[(Substituted glycyl)amido]-6-(substituted)-5-hydroxy-6-deoxytetracyclines Wyeth Holdings Corporation (US) 2004-07-07 EP claimed
EP-0618190-B1 9-[(Substituted glycyl)amido]-6-(substituted)-5-hydroxy-6-deoxytetracyclines WYETH CORP (US) 2004-05-19 EP claimed
JP-2002542218-A 2002-12-10 JP claimed
EP-1171414-A1 COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-16 EP claimed
WO-2000063153-A1 NEW COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 WO claimed
US-5371076-A ANTIBIOTICS AMERICAN CYANAMID COMPANY (US) 1994-12-06 US claimed
EP-0618190-A1 9-[(Substituted glycyl)amido]-6-(substituted)-5-hydroxy-6-deoxytetracyclines AMERICAN CYANAMID COMPANY (US) 1994-10-05 EP claimed
CN-108697714-B Fused pyrimidine compound or salt thereof 大鹏药品工业株式会社 2022-04-26 CN disclosed
WO-2019078171-A1 METHOD FOR CONCENTRATING OR SEPARATING POLYMER COMPOUND 国立大学法人京都大学 2019-04-25 WO disclosed
EP-2497475-A1 Treatment of laminitis with platelet aggregation inhibitors Dussler, Sabine (DE) 2012-09-12 EP disclosed
US-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES JITSUOKA MAKOTO (JP) 2012-06-14 US disclosed
US-8158791-B2 Aza-substituted spiro derivatives MSD K.K. (JP) 2012-04-17 US disclosed
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
EP-0542411-A2 Tetrahydrothienopyridine derivatives, furo and pyrrolo analogs thereof and their preparation and uses for inhibiting blood platelet aggregation Sankyo Company Limited (JP) 1993-05-19 EP disclosed
EP-0536936-A1 Pyrimidine nucleoside derivatives having anti-tumor activity, their preparation and use Sankyo Company Limited (JP) 1993-04-14 EP disclosed
US-4927565-A HYPOTENSIVE AGENT BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-05-22 US disclosed
US-4851387-A RENIN INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-07-25 US disclosed
EP-0272583-A2 5-Substituted amino-4-hydroxy-pentenoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-06-29 EP disclosed
EP-0264106-A2 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-04-20 EP 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 (1 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-20120149703-A1 AZA-SUBSTITUTED SPIRO DERIVATIVES AZI2, NR3C2, DNMT3A EPHX1 3258/4885TDP1 3743/4885ATM 3309/4885

“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.