SCHEMBL1711201

SCHEMBL1711201

O=C(C=Cc1ccccc1)ON1C(=O)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.47
MAPT P10636 5/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC8 Q9BY41 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
PLIN1 O60240 2/20 0.47
RECQL P46063 2/20 0.47
PLIN5 Q00G26 2/20 0.47
ABHD5 Q8WTS1 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TNKS O95271 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
HDAC9 Q9UKV0 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
SCHEMBL7882197 1.00 LMNA (0.47) LMNAMAPTHDAC3HDAC4HDAC1
SCHEMBL6275964 0.89 HDAC3 (0.47) LMNAMAPTHDAC3HDAC4HDAC1
SCHEMBL6275963 0.89 HDAC3 (0.47) LMNAMAPTHDAC3HDAC4HDAC1
SCHEMBL7190449 0.89 SRD5A2 (0.48) LMNAMAPTHDAC3HDAC4HDAC1
SCHEMBL9390893 0.86 CA12 (0.54) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL14546443 0.86 CA12 (0.54) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL9551395 0.85 AKR1B10 (0.48) MAPTAKR1B10AKR1B1RAB9ANPC1
SCHEMBL9411954 0.84 CYP1A2 (0.50) LMNAMAPTHDAC2ALDH1A1CYP1A2
SCHEMBL9551400 0.84 HSD11B1 (0.50) LMNAMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL9752026 0.84 ESR1 (0.42) MAPTALDH1A1CYP1A2SMN1; SMN2RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150510-B2 Amino acid derivative NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2015-10-06 US disclosed
EP-2345635-A1 AMINO ACID DERIVATIVE Nippon Zoki Pharmaceutical Co., Ltd. (JP) 2011-07-20 EP disclosed
US-20110172442-A1 AMINO ACID DERIVATIVE NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 2011-07-14 US disclosed
US-6329546-B1 FOR INVESTIGATING THE MECHANISM OF ACTION OF A PHYSIOLOGICALLY ACTIVE AMINO ACID COMPOUND SUCH AS GLUTAMIC ACID IN AN ORGANISM LABORATORY OF MOLECULAR BIOPHOTONICS (JP) 2001-12-11 US disclosed
US-6229020-B1 REACTING N-SUCCINIMIDYL AND P-NITROPHENYL CINNAMATE DERIVATIVES WITH PHYSIOLOGICALLY ACTIVE SUBSTANCE SUCH AS AN AMINO ACID; PROTECTING AMINO OR HYDROXY GROUPS FOR ANALYSIS OF BIOLOGICAL REACTIONS BY IRRADIATION WITH LIGHT LABORATORY OF MOLECULAR BIOPHOTONICS (JP) 2001-05-08 US disclosed
US-6229020-B1 REACTING N-SUCCINIMIDYL AND P-NITROPHENYL CINNAMATE DERIVATIVES WITH PHYSIOLOGICALLY ACTIVE SUBSTANCE SUCH AS AN AMINO ACID; PROTECTING AMINO OR HYDROXY GROUPS FOR ANALYSIS OF BIOLOGICAL REACTIONS BY IRRADIATION WITH LIGHT LABORATORY OF MOLECULAR BIOPHOTONICS (JP) 2001-05-08 US disclosed
US-4112219-A Acyl derivatives of antibiotic BM123γ AMERICAN CYANAMID COMPANY (US) 1978-09-05 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 (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-20110172442-A1 AMINO ACID DERIVATIVE OPRL1, OPRK1, SLC1A1 LMNA 4579/4885MAPT 1855/4885HDAC3 3526/4885

“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.