SCHEMBL991841

SCHEMBL991841

O=C(NCc1ccc(C(=O)O)cc1)OCc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC3 O15379 1/20 0.64
PLAU P00749 1/20 0.64
NAMPT P43490 1/20 0.60
LMNA P02545 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NR1H4 Q96RI1 2/20 0.55
EPHX2 P34913 1/20 0.55
KMT2A Q03164 1/20 0.54
TNKS O95271 1/20 0.54
TNKS2 Q9H2K2 1/20 0.54
TPSAB1 Q15661 2/20 0.54
TPSD1 Q9BZJ3 2/20 0.54
TPSG1 Q9NRR2 2/20 0.54
HTT P42858 1/20 0.54
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
PRSS1 P07477 1/20 0.51

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
Benzyl Benzylcarbamate SCHEMBL1136818 0.90 PLAU (0.70) HDAC1HDAC2HDAC3PLAUNAMPT
Benzyl Benzylcarbamate SCHEMBL19810513 0.89 PLAU (0.68) HDAC1HDAC2HDAC3PLAUNAMPT
Benzyl Benzylcarbamate SCHEMBL9998166 0.89 PLAU (0.68) HDAC1HDAC2HDAC3PLAUNAMPT
Benzyl Benzylcarbamate SCHEMBL28413454 0.89 PLAU (0.68) HDAC1HDAC2HDAC3PLAUNAMPT
SCHEMBL5931079 0.88 PLAU (0.69) HDAC1HDAC2HDAC3PLAUNAMPT
SCHEMBL993696 0.88 HDAC1 (0.62) HDAC1HDAC2HDAC3PLAUNAMPT
SCHEMBL6558145 0.88 HDAC1 (0.62) HDAC1HDAC2HDAC3PLAUNAMPT
SCHEMBL191161 0.87 PLAU (0.68) HDAC1HDAC2HDAC3PLAUNAMPT
SCHEMBL4766309 0.87 SMN1; SMN2 (0.62) HDAC1HDAC2HDAC3PLAUNAMPT
SCHEMBL20047179 0.86 PLAU (0.66) HDAC1HDAC2HDAC3PLAUNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3062784-B1 ANTIMICROBIAL COMPOUNDS AKTHELIA PHARMACEUTICALS (IS) 2020-12-23 EP disclosed
EP-3062784-B1 ANTIMICROBIAL COMPOUNDS AKTHELIA PHARMACEUTICALS (IS) 2020-12-23 EP disclosed
US-10683269-B2 2-cyanoisoindoline derivatives for treating cancer MISSION THERAPEUTICS LIMITED (GB) 2020-06-16 US disclosed
CN-105682655-B Antimicrobial compounds 阿克塞利亚制药公司 2020-03-27 CN disclosed
EP-2451776-B1 N-ALKOXYAMIDE CONJUGATES AS IMAGING AGENTS LANTHEUS MEDICAL IMAGING INC (US) 2019-09-18 EP disclosed
US-20190010122-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER MISSION THERAPEUTICS LIMITED (GB) 2019-01-10 US disclosed
US-9957226-B2 Antimicrobial compounds AKTHELIA PHARMACEUTICALS (IS) 2018-05-01 US disclosed
US-9957226-B2 Antimicrobial compounds AKTHELIA PHARMACEUTICALS (IS) 2018-05-01 US disclosed
US-9957226-B2 Antimicrobial compounds AKTHELIA PHARMACEUTICALS (IS) 2018-05-01 US disclosed
CN-103965128-B N alkoxy amide conjugates as developer 兰休斯医疗成像公司 2018-04-03 CN disclosed
US-5506267-A IMMUNOADJUVANT FOR BONE MARROW CELL GROWTH AFTERTREATMENT OF CHEMOTHERAPY OR RADIOTHERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-04-09 US disclosed
EP-0641776-A2 Thioglycerol derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-03-08 EP disclosed
EP-0372486-B1 Benzoic-acid phenylacetic-acid derivatives, their preparation and their use as medicines HOFFMANN LA ROCHE (CH) 1994-06-01 EP disclosed
US-5039805-A Novel benzoic and phenylacetic acid derivatives HOFFMANN-LA ROCHE INC. (US) 1991-08-13 US disclosed
EP-0048433-B1 NOVEL AMIDINE COMPOUNDS, PROCESS FOR PRODUCING SAME AND ANTI-COMPLEMENT AGENT COMPRISING THEM TORII & CO., LTD. (JP) 1986-05-28 EP disclosed
US-4570006-A ANTITHROMBIN; ENZYME AND HORMONE INHIBITORS TORII & CO. LTD. (JP) 1986-02-11 US disclosed
US-4532255-A Amidine compounds and anticomplement agent comprising same TORII & CO., LTD. (JP) 1985-07-30 US disclosed
US-4514416-A Amidine compound, process for producing same and anti-complement agent comprising same TORII & CO. LTD. (JP) 1985-04-30 US disclosed
US-4454338-A 6-AMIDINO-2-NATHTHYL-4-GUANIDINOBENZOATE TORII & CO., LTD. (JP) 1984-06-12 US disclosed
EP-0048433-A2 Novel amidine compounds, process for producing same and anti-complement agent comprising them TORII & CO., LTD. (JP) 1982-03-31 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 (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-20190010122-A1 2-CYANOISOINDOLINE DERIVATIVES FOR TREATING CANCER USP7, USP47, USP2 HDAC1 423/4885HDAC2 656/4885HDAC3 556/4885
US-10683269-B2 2-cyanoisoindoline derivatives for treating cancer USP7, USP47, USP2 HDAC1 423/4885HDAC2 656/4885HDAC3 556/4885

“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.