SCHEMBL4779827

SCHEMBL4779827

COC(=O)C(Cl)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 4/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.41
MT-CO2 P00403 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL4507146 0.84 L3MBTL1 (0.50) L3MBTL1KMT2AALDH1A1
SCHEMBL11458699 0.83 CYP1A2 (0.42) L3MBTL1TDP1LMNA
SCHEMBL6555619 0.82 LMNA (0.40) L3MBTL1TDP1SMN1; SMN2KMT2AMEN1
SCHEMBL13014972 0.82 MEN1 (0.46) L3MBTL1SMN1; SMN2KMT2AMEN1LMNA
SCHEMBL908518 0.82 HDAC3 (0.44) KMT2AMEN1LMNAALDH1A1
SCHEMBL1526022 0.82 KMT2A (0.64) KMT2AMEN1LMNAALDH1A1
SCHEMBL1968557 0.81 TDP1 (0.42) L3MBTL1TDP1SMN1; SMN2KMT2AMEN1
SCHEMBL268626 0.81 TDP1 (0.42) L3MBTL1TDP1SMN1; SMN2KMT2AMEN1
SCHEMBL11773513 0.79 CXCR1 (0.44) L3MBTL1TDP1SMN1; SMN2KMT2AMEN1
Propane SCHEMBL27580660 0.79 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101678019-A piperidine/piperazine derivatives JANSSEN PHARMACEUTICA NV 2010-03-24 CN disclosed
EP-1915148-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPATHIES AND RELATED DISORDERS DOV Pharmaceutical, Inc. (US) 2008-04-30 EP disclosed
US-20070149599-A1 Polymorphs of bicifadine hydrochloride DOV PHARMACEUTICAL, INC. 2007-06-28 US disclosed
US-20070082938-A1 Polymorphs of bicifadine hydrochloride DOV PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders LIPPA ARNOLD S 2007-04-12 US disclosed
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders LIPPA ARNOLD S 2007-04-12 US disclosed
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders LIPPA ARNOLD S 2007-04-12 US disclosed
WO-2007014264-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPATHIES AND RELATED DISORDERS DOV PHARMACEUTICAL, INC. (US) 2007-02-01 WO disclosed
WO-2007014264-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEUROPATHIES AND RELATED DISORDERS DOV PHARMACEUTICAL, INC. (US) 2007-02-01 WO disclosed
US-7094799-B2 A single, thermodynamical stable crystal structure, is crystallized from a cooled and agitated solvent solution, analgesic drug for reducing pain DOV PHARMACEUTICAL, INC. (US) 2006-08-22 US disclosed
EP-1562900-A4 POLYMORPHS OF BICIFADINE HYDROCHLORIDE DOV PHARMACEUTICAL INC (US) 2006-07-12 EP disclosed
CN-1735594-A Polymorphs of bicifadine hydrochloride DOV PHARMACEUTICALS INC (US) 2006-02-15 CN disclosed
EP-1562900-A1 POLYMORPHS OF BICIFADINE HYDROCHLORIDE DOV Pharmaceutical Inc. (US) 2005-08-17 EP disclosed
WO-2004043920-A1 POLYMORPHS OF BICIFADINE HYDROCHLORIDE DOV PHARMACEUTICALS, INC. (US) 2004-05-27 WO disclosed
US-20040102638-A1 Polymorphs of bicifadine hydrochloride EUTHYMICS BIOSCIENCE, INC. 2004-05-27 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 (4 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-20070149599-A1 Polymorphs of bicifadine hydrochloride SF3B5, SFPQ, BBC3 L3MBTL1 3038/4885TDP1 3773/4885SMN1; SMN2 4019/4885
US-20070082938-A1 Polymorphs of bicifadine hydrochloride SF3B5, SFPQ, BBC3 L3MBTL1 3038/4885TDP1 3773/4885SMN1; SMN2 4019/4885
US-20040102638-A1 Polymorphs of bicifadine hydrochloride SF3B5, SFPQ, BBC3 L3MBTL1 3038/4885TDP1 3773/4885SMN1; SMN2 4019/4885
US-20070082939-A1 Methods and compositions for the treatment of neuropathies and related disorders ACHE, LTC4S, CCR5 L3MBTL1 2187/4885TDP1 1322/4885SMN1; SMN2 217/4885

“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.