Sugi Predict

Sugi Predict / Compounds / SCHEMBL744074

SCHEMBL744074

SCHEMBL744074

NNC(=O)C(c1ccccc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 1.00
▸ HDAC3 O15379 1/20 0.65
▸ HDAC4 P56524 1/20 0.65
▸ HDAC1 Q13547 1/20 0.65
▸ HDAC7 Q8WUI4 1/20 0.65
▸ HDAC2 Q92769 1/20 0.65
▸ HDAC10 Q969S8 1/20 0.65
▸ HDAC11 Q96DB2 1/20 0.65
▸ HDAC8 Q9BY41 1/20 0.65
▸ HDAC6 Q9UBN7 1/20 0.65
▸ HDAC9 Q9UKV0 1/20 0.65
▸ HDAC5 Q9UQL6 1/20 0.65
▸ POLB P06746 2/20 0.61
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ CNR1 P21554 3/20 0.53
▸ CNR2 P34972 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ S1PR3 Q99500 1/20 0.52
▸ PKM P14618 1/20 0.52

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
SCHEMBL4781171 0.89 CTSD (0.79) CTSDHDAC3HDAC4HDAC1HDAC7
SCHEMBL31458534 0.82 CTSD (0.69) CTSDHDAC3HDAC4HDAC1HDAC7
SCHEMBL2978269 0.80 CTSD (0.67) CTSDHDAC3HDAC4HDAC1HDAC7
SCHEMBL6766263 0.80 CTSD (0.67) CTSDHDAC3HDAC4HDAC1HDAC7
SCHEMBL20168851 0.80 CTSD (0.67) CTSDHDAC3HDAC4HDAC1HDAC7
SCHEMBL2318556 0.80 CTSD (0.67) CTSDHDAC3HDAC4HDAC1HDAC7
SCHEMBL2839032 0.79 HDAC4 (1.00) CTSDHDAC3HDAC4HDAC1HDAC7
SCHEMBL8953892 0.78 CTSD (0.64) CTSDHDAC3HDAC4HDAC1HDAC7
SCHEMBL6266741 0.78 CTSD (0.64) CTSDHDAC3HDAC4HDAC1HDAC7
SCHEMBL5809852 0.78 CTSD (0.64) CTSDHDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776411-B1 MODULATORS OF C3A RECEPTORS UNIV QUEENSLAND (AU) 2019-06-26 — — EP disclosed
US-20180118711-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2018-05-03 — — US disclosed
US-20180118711-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS OMEROS CORPORATION 2018-05-03 — — US disclosed
US-9845323-B2 2-(1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1 ]octane derivatives and their use as antibacterial agents WOCKHARDT LIMITED (IN) 2017-12-19 — — US disclosed
US-9845323-B2 2-(1,3,4-oxadiazol-2-yl)-7-oxo-1,6-diazabicyclo[3.2.1 ]octane derivatives and their use as antibacterial agents WOCKHARDT LIMITED (IN) 2017-12-19 — — US disclosed
US-9783521-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2017-10-10 — — US disclosed
US-9783521-B2 PDE10 inhibitors and related compositions and methods OMEROS CORPORATION (US) 2017-10-10 — — US disclosed
US-9586914-B2 Modulators of C3a receptors THE UNIVERSITY OF QUEENSLAND (AU) 2017-03-07 — — US disclosed
US-9586914-B2 Modulators of C3a receptors THE UNIVERSITY OF QUEENSLAND (AU) 2017-03-07 — — US disclosed
US-20160297816-A1 2-(1,3,4-OXADIAZOL-2-YL)-7-OXO-1,6-DIAZABICYCLO[3.2.1 ]OCTANE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS WOCKHARDT LIMITED (IN) 2016-10-13 — — US disclosed
WO-2003045926-A1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE AS MEDICINE SOCIETE DE CONSEILS DE RECHERCHE ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-06-05 — — WO disclosed
US-6462198-B1 USED IN THE CONTROL OR PREVENTION OF ACUTE AND/OR CHRONIC NEUROLOGICAL DISORDERS SUCH AS RESTRICTED BRAIN FUNCTION CAUSED BY BYPASS OPERATIONS OR TRANSPLANTS, POOR BLOOD SUPPLY TO THE BRAIN, SPINAL CORD INJURIES, HEAD INJURIES, HYPOXIA, HOFFMANN-LA ROCHE INC. 2002-10-08 — — US disclosed
US-20020091150-A1 Carbamic acid derivatives BLEICHER KONRAD (DE) 2002-07-11 — — US disclosed
EP-1171423-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-16 — — EP disclosed
WO-2000063166-A1 CARBAMIC ACID DERIVATIVES AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2000-10-26 — — WO disclosed
EP-0396769-B1 AZOXY COMPOUND KOWA CO. LTD. (JP) 1993-03-10 — — EP disclosed
US-5093480-A Fungicides KOWA COMPANY, LTD. (JP) 1992-03-03 — — US disclosed
EP-0396769-A1 AZOXY COMPOUND KOWA CO. LTD. (JP) 1990-11-14 — — EP disclosed
US-4179439-A Rifamycins and method for their preparation INTREPRINDEREA DE ANTIBIOTICE IASI (RO) 1979-12-18 — — US disclosed
US-4150139-A MUSCLE RELAXANTS, ANALGESICS, ANTIINFLAMMATORY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1979-04-17 — — 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 (3 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-20180118711-A1 PDE10 INHIBITORS AND RELATED COMPOSITIONS AND METHODS PDE10A, PDE9A, PDE7A CTSD 926/4885HDAC3 1257/4885HDAC4 1271/4885
US-20020091150-A1 Carbamic acid derivatives CHRM1, CHRNA2, CHRM2 CTSD 614/4885HDAC3 533/4885HDAC4 852/4885
US-20160297816-A1 2-(1,3,4-OXADIAZOL-2-YL)-7-OXO-1,6-DIAZABICYCLO[3.2.1 ]OCTANE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ODC1, OXA1L, CASP7 CTSD 3300/4885HDAC3 1869/4885HDAC4 3066/4885

“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.