SCHEMBL4805

SCHEMBL4805

CC(=O)c1cc(-c2ccccc2)no1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ALDH1A1 P00352 1/20 0.55
NPC1 O15118 6/20 0.52
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
NOTUM Q6P988 2/20 0.50
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46

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
SCHEMBL28091339 0.85 RAB9A (0.68) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL212382 0.85 RAB9A (0.68) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL23930594 0.84 RAB9A (0.50) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL8880218 0.84 RAB9A (0.66) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL23930645 0.83 CYP2A6 (0.54) RAB9ASMN1; SMN2NPC1CYP1A2CYP2C19
SCHEMBL8878334 0.83 SMN1; SMN2 (0.65) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1574756 0.83 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14814448 0.83 MEN1 (0.56) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8878621 0.82 RAB9A (0.60) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20507158 0.82 MEN1 (0.49) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3237411-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS INC (US) 2023-06-07 EP disclosed
US-20220175735-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS PROTEOSTASIS THERAPEUTICS INC (US) 2022-06-09 US disclosed
US-11083709-B2 Compounds, compositions, and methods of increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2021-08-10 US disclosed
US-20200360348-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2020-11-19 US disclosed
US-20200190072-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2020-06-18 US disclosed
US-10548878-B2 Compounds, compositions, and methods of increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2020-02-04 US disclosed
US-10392372-B2 Compounds, compositions, and methods for increasing CFTR activity PROTEOSTASIS THERAPEUTICS, INC. (US) 2019-08-27 US disclosed
US-20180214419-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2018-08-02 US disclosed
US-20180214419-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2018-08-02 US disclosed
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists AMIRA PHARMACEUTICALS, INC. (US) 2018-06-19 US disclosed
WO-2005113551-A1 BICYCLIC-SUBSTITUTED AMINES HAVING CYCLIC-SUBSTITUTED MONOCYCLIC SUBSTITUENTS ABBOTT LABORATORIES (US) 2005-12-01 WO disclosed
US-20050256118-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents ABBOTT LABORATORIES 2005-11-17 US disclosed
US-5602160-A MUSCLE RELAXANT MITSUI TOATSU CHEMICALS INCORPORATED (JP) 1997-02-11 US disclosed
US-5498619-A MUSCLE RELAXANTS, POLLAKIUREA CURING AGENTS AND MUSCLE SPASMS MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1996-03-12 US disclosed
EP-0414391-B1 Aminoketone derivatives and use thereof MITSUI TOATSU CHEMICALS (JP) 1995-03-15 EP disclosed
EP-0399645-B1 Tetrahydropyranyl derivatives, process for their preparation and pharmaceutical or veterinary compositions containing them BEECHAM GROUP PLC (GB) 1994-11-09 EP disclosed
US-5338857-A Muscle relaxant MITSUI TOATSU CHEMICALS INCORPORATED (JP) 1994-08-16 US disclosed
EP-0414391-A2 Aminoketone derivatives and use thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-02-27 EP disclosed
EP-0399645-A2 Tetrahydropyranyl derivatives, process for their preparation and pharmaceutical or veterinary compositions containing them BEECHAM GROUP PLC (GB) 1990-11-28 EP disclosed
CN-1046332-A New compound BEECHAM GROUP PLC (GB) 1990-10-24 CN 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 (9 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-10548878-B2 Compounds, compositions, and methods of increasing CFTR activity CFTR, ABCB4, SCNN1B RAB9A 840/4885SMN1; SMN2 3701/4885MEN1 4523/4885
US-20050256118-A1 Bicyclic-substituted amines having cyclic-substituted monocyclic substituents HRH3, HRH4, HRH2 RAB9A 1510/4885SMN1; SMN2 4497/4885MEN1 1142/4885
US-20180214419-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF INCREASING CFTR ACTIVITY CFTR, ABCB4, SCNN1B RAB9A 840/4885SMN1; SMN2 3701/4885MEN1 4523/4885
US-20200360348-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF INCREASING CFTR ACTIVITY CFTR, ABCB4, SCNN1B RAB9A 840/4885SMN1; SMN2 3701/4885MEN1 4523/4885
US-10000456-B2 Polycyclic compounds as lysophosphatidic acid receptor antagonists LPAR1, LPAR2, LPAR4 RAB9A 2536/4885SMN1; SMN2 4422/4885MEN1 1811/4885
US-10392372-B2 Compounds, compositions, and methods for increasing CFTR activity CFTR, SCNN1B, SCNN1G RAB9A 715/4885SMN1; SMN2 4744/4885MEN1 4638/4885
US-20200190072-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, SCNN1B, SCNN1G RAB9A 715/4885SMN1; SMN2 4744/4885MEN1 4638/4885
US-11083709-B2 Compounds, compositions, and methods of increasing CFTR activity CFTR, ABCB4, SCNN1B RAB9A 840/4885SMN1; SMN2 3701/4885MEN1 4523/4885
US-20220175735-A1 METHODS OF TREATING PULMONARY DISEASES AND DISORDERS SMPD1, ELANE, SMPD2 RAB9A 1690/4885SMN1; SMN2 1913/4885MEN1 3829/4885

“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.