SCHEMBL993651

SCHEMBL993651

O=C(O)C(CO)NC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.45
MME P08473 1/20 0.42
KIF11 P52732 6/20 0.39
KCNN4 O15554 3/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
KMT2A Q03164 1/20 0.37
DNMT1 P26358 1/20 0.36
TGFBR1 P36897 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
PKLR P30613 1/20 0.36

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
SCHEMBL2604614 1.00 NPSR1 (0.45) NPSR1MMEKIF11KCNN4FNTA
SCHEMBL1899106 1.00 NPSR1 (0.45) NPSR1MMEKIF11KCNN4FNTA
SCHEMBL30278728 0.91 LMNA (0.40) NPSR1KCNN4KMT2ACYP2C19
SCHEMBL17981416 0.88 KIF11 (0.48) NPSR1KIF11KCNN4CYP2C19
SCHEMBL224241 0.86 MAPT (0.39) NPSR1KIF11KCNN4KMT2A
SCHEMBL29908038 0.86 NPSR1 (0.43) NPSR1KIF11KCNN4KMT2A
SCHEMBL28831877 0.85 L3MBTL1 (0.39) NPSR1MMEKIF11KCNN4KMT2A
SCHEMBL232516 0.84 NPSR1 (0.44) NPSR1MMEFNTAFNTB
SCHEMBL8682774 0.84 NPSR1 (0.44) NPSR1MMEFNTAFNTB
SCHEMBL2742288 0.84 KCNN4 (0.46) NPSR1MMEKIF11KCNN4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118256591-A Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-06-28 CN disclosed
CN-118184532-A Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-06-14 CN disclosed
CN-113454058-B Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound containing the amino acid, and process for producing the same 中外制药株式会社 2024-03-22 CN disclosed
CN-110869544-B Cyclic peptide compound having high membrane permeability and library comprising same 中外制药株式会社 2024-03-08 CN disclosed
CN-113454058-A Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound comprising the same, and method for producing the same 中外制药株式会社 2021-09-28 CN disclosed
EP-2380567-B1 MELANIN PRODUCTION INHIBITOR POLA CHEM IND INC (JP) 2019-01-16 EP disclosed
EP-2380567-B1 MELANIN PRODUCTION INHIBITOR POLA CHEM IND INC (JP) 2019-01-16 EP disclosed
WO-2017035417-A1 PHOSPHONATE COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-02 WO disclosed
EP-3009123-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2016-04-20 EP disclosed
EP-3009123-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2016-04-20 EP disclosed
EP-2501674-A2 PROCESSES FOR PREPARATION OF POLYMORPHIC FORMS OF LACOSAMIDE Ranbaxy Laboratories Limited (IN) 2012-09-26 EP disclosed
EP-2380567-A1 MELANIN PRODUCTION INHIBITOR Pola Chemical Industries Inc. (JP) 2011-10-26 EP disclosed
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 US disclosed
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 US disclosed
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR POLA CHEMICAL INDUSTRIES INC. (JP) 2011-10-06 US disclosed
WO-2011061610-A2 PROCESSES FOR PREPARATION OF POLYMORPHIC FORMS OF LACOSAMIDE RANBAXY LABORATORIES LIMITED (IN) 2011-05-26 WO disclosed
US-20110021482-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL, THE 2011-01-27 US disclosed
CN-1230216-A Breakable signal element apparatus and method BURSTEIN LAB INC (US) 1999-09-29 CN disclosed
US-5061093-A NON-IMPACT PRINTING APPARATUS SEIKO EPSON CORPORATION (JP) 1991-10-29 US disclosed
US-4935299-A THERMOPLASTIC MAGNETIC INK LAYER CONTAINS TWO OR MORE KINDS OF MAGNETIC PARTICLES DIFFERENT FROM EACH OTHER IN SIZE SEIKO EPSON CORPORATION (JP) 1990-06-19 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-20110021482-A1 Novel N-Benzylamide Substituted Derivatives of 2-(Acylamido)acetic Acid and 2-(Acylamido)propionic Acids: Potent Neurological Agents NAAA, AADAC, GBA1 NPSR1 1919/4885MME 647/4885KIF11 2086/4885
US-20110243865-A1 MELANIN PRODUCTION INHIBITOR TYR, F12, TH NPSR1 1047/4885MME 3634/4885KIF11 4556/4885

“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.