SCHEMBL2012891

SCHEMBL2012891

CCCCCC(O)c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.50
LMNA P02545 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
TBXAS1 P24557 1/20 0.47
GAA P10253 1/20 0.45
CYP51A1 Q16850 6/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43
CFTR P13569 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
GOPC Q9HD26 1/20 0.43
KCNA5 P22460 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL17607341 0.98 LMNA (0.49) L3MBTL1LMNASMN1; SMN2TDP1TBXAS1
SCHEMBL9629718 0.95 L3MBTL1 (0.51) L3MBTL1LMNASMN1; SMN2TDP1TBXAS1
SCHEMBL9830214 0.89 SMN1; SMN2 (0.53) L3MBTL1LMNASMN1; SMN2TBXAS1GAA
SCHEMBL906187 0.89 SMN1; SMN2 (0.53) L3MBTL1LMNASMN1; SMN2TBXAS1GAA
SCHEMBL18473557 0.84 L3MBTL1 (0.51) L3MBTL1LMNASMN1; SMN2TDP1TBXAS1
SCHEMBL2573660 0.84 SMN1; SMN2 (0.50) L3MBTL1LMNASMN1; SMN2TBXAS1GAA
SCHEMBL29024102 0.83 LMNA (0.45) L3MBTL1LMNASMN1; SMN2TDP1TBXAS1
SCHEMBL25003559 0.83 L3MBTL1 (0.50) L3MBTL1LMNASMN1; SMN2TDP1TBXAS1
SCHEMBL18842833 0.83 L3MBTL1 (0.50) L3MBTL1LMNASMN1; SMN2TDP1TBXAS1
SCHEMBL20940017 0.83 L3MBTL1 (0.50) L3MBTL1LMNASMN1; SMN2TDP1TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964599-B2 Therapeutic compounds ALLERGAN, INC. (US) 2011-06-21 US disclosed
US-20090281104-A1 Therapeutic Compounds ALLERGAN, INC. (US) 2009-11-12 US disclosed
EP-2029518-A2 CYCLOPENTANE-DERIVATIVES AND THEIR USE AS OCULAR HYPOTENSIVE AGENTS Allergan, Inc. (US) 2009-03-04 EP disclosed
US-7476755-B2 Therapeutic compounds ALLERGAN, INC. (US) 2009-01-13 US disclosed
WO-2007130890-A2 CYCLOPENTANE-DERIVATIVES AND THEIR USE AS OCULAR HYPOTENSIVE AGENTS ALLERGAN, INC. (US) 2007-11-15 WO disclosed
US-20070259929-A1 Therapeutic Compounds ALLERGAN, INC. 2007-11-08 US disclosed
EP-0316783-B1 PROCESS FOR THE PREPARATION OF HETERO-AROMATIC KETONES AND ALDEHYDES BASF Aktiengesellschaft (DE) 1992-03-18 EP disclosed
EP-0356843-A2 Process for the preparation of heteroaromatic aldehydes and ketones BASF Aktiengesellschaft (DE) 1990-03-07 EP disclosed
EP-0316783-A1 Process for the preparation of hetero-aromatic ketones and aldehydes BASF Aktiengesellschaft (DE) 1989-05-24 EP 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-20070259929-A1 Therapeutic Compounds PIGO, CYC1, COXFA4L2 L3MBTL1 3867/4885LMNA 1423/4885SMN1; SMN2 1920/4885
US-20090281104-A1 Therapeutic Compounds SLC10A1, ABCB11, GUSB L3MBTL1 3358/4885LMNA 2172/4885SMN1; SMN2 1306/4885

“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.