SCHEMBL1784054

SCHEMBL1784054

O=C(O)CNc1ccccc1C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
TDP1 Q9NUW8 3/20 0.58
NPSR1 Q6W5P4 3/20 0.54
HTT P42858 3/20 0.54
HPGD P15428 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
MAPT P10636 1/20 0.54
KDM4E B2RXH2 6/20 0.53
LMNA P02545 3/20 0.53
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 4/20 0.51
TSHR P16473 3/20 0.51
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 1/20 0.51
RAB9A P51151 4/20 0.50
GAA P10253 2/20 0.50
POLB P06746 1/20 0.50

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
SCHEMBL11790901 0.98 ALDH1A1 (0.58) ALDH1A1TDP1NPSR1HTTHPGD
Dimethylamine SCHEMBL1788162 0.96 ALDH1A1 (0.55) ALDH1A1TDP1NPSR1HTTHPGD
SCHEMBL9299532 0.88 ALDH1A1 (0.56) ALDH1A1TDP1NPSR1HTTHPGD
SCHEMBL10333082 0.88 ALDH1A1 (0.56) ALDH1A1TDP1NPSR1HTTHPGD
SCHEMBL9686341 0.88 KMT2A (0.58) ALDH1A1TDP1NPSR1HTTHPGD
SCHEMBL10437867 0.86 RAB9A (0.62) ALDH1A1NPSR1HTTHPGDCYP2C9
SCHEMBL8555205 0.86 ALDH1A1 (0.54) ALDH1A1TDP1NPSR1HTTHPGD
SCHEMBL3985145 0.85 ALDH1A1 (0.45) ALDH1A1TDP1NPSR1HTTHPGD
SCHEMBL1782357 0.85 ALDH1A1 (0.52) ALDH1A1TDP1NPSR1HTTHPGD
SCHEMBL8623732 0.84 ALDH1A1 (0.55) ALDH1A1TDP1NPSR1HTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950046-B1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS NAEJA PHARMACEUTICAL INC (CA) 2002-04-10 EP claimed
EP-0950046-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 EP claimed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 WO claimed
US-20240399776-A1 COLOR DEVELOPER, THERMAL RECORDING MATERIAL, AND THERMAL RECORDING LAYER COATING MATERIAL SANKO CO., LTD. (JP) 2024-12-05 US disclosed
EP-4269119-A1 COLOR DEVELOPER, HEAT-SENSITIVE RECORDING MATERIAL, AND COATING MATERIAL FOR HEAT-SENSITIVE RECORDING LAYERS Sanko Co., Ltd. (JP) 2023-11-01 EP disclosed
CN-110627874-B Preparation method of pasireotide 武汉武药科技有限公司 2023-04-11 CN disclosed
EP-3342599-B1 HEAT-SENSITIVE RECORDING MATERIAL SANKO CO LTD (JP) 2021-06-16 EP disclosed
CN-110627874-A Preparation method of pasireotide 武汉武药科技有限公司 2019-12-31 CN disclosed
US-10086634-B2 Heat-sensitive recording material SANKO CO., LTD. (JP) 2018-10-02 US disclosed
US-20180194151-A1 HEAT-SENSITIVE RECORDING MATERIAL SANKO CO., LTD. (JP) 2018-07-12 US disclosed
EP-3342599-A1 HEAT-SENSITIVE RECORDING MATERIAL Sanko Co., Ltd. (JP) 2018-07-04 EP disclosed
US-4112230-A Δ2,3 -1,4 Morpholine-2-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1978-09-05 US disclosed
US-4068078-A ANTIBIOTICS BRISTOL-MYERS CORPORATION (US) 1978-01-10 US disclosed
US-4068075-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1978-01-10 US disclosed
US-4068080-A BETA-LACTAM ANTIBIOTICS, CEPHALOSPORIN ANALOGS BRISTOL-MYERS COMPANY (US) 1978-01-10 US disclosed
US-4066832-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1978-01-03 US disclosed
US-4066831-A ANTIBIOTICS BRISTOL-MYERS COMPANY (US) 1978-01-03 US disclosed
US-4065623-A O-2-Isocephem-4-carboxylic acid derivatives as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-12-27 US disclosed
US-4012383-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1977-03-15 US disclosed
US-4011216-A Δ2,3-0-2-Isocephem-4-carboxylic acid and derivatives thereof as antibacterial agents BRISTOL-MYERS COMPANY (US) 1977-03-08 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 (2 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-20180194151-A1 HEAT-SENSITIVE RECORDING MATERIAL ASIC1, SCN1A, NPR1 ALDH1A1 1820/4885TDP1 3088/4885NPSR1 332/4885
US-10086634-B2 Heat-sensitive recording material ASIC1, SCN1A, NPR1 ALDH1A1 1666/4885TDP1 3273/4885NPSR1 354/4885

“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.