SCHEMBL2999592

SCHEMBL2999592

C=CCOc1ccc(CNC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
HPGD P15428 1/20 0.49
KDM4E B2RXH2 1/20 0.49
POLB P06746 3/20 0.48
FFAR1 O14842 1/20 0.48
MAPT P10636 2/20 0.47
USP2 O75604 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
CYP2D6 P10635 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
BCHE P06276 1/20 0.43

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
SCHEMBL826483 0.82 CA12 (0.53) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
1,4-Diallyloxybenzene SCHEMBL302448 0.79 CA12 (0.63) ALDH1A1SMN1; SMN2KDM4EPOLBMAPT
SCHEMBL7929787 0.79 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL14441303 0.78 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2POLBMAPTUSP2
SCHEMBL717219 0.77 NPC1 (0.53) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL7929785 0.76 CA12 (0.52) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL7782792 0.76 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL3004004 0.76 NQO1 (0.61) ALDH1A1SMN1; SMN2KDM4EPOLBMAPT
SCHEMBL12370720 0.76 CA12 (0.47) ALDH1A1SMN1; SMN2HPGDKDM4EPOLB
SCHEMBL7132909 0.76 LTA4H (0.55) ALDH1A1SMN1; SMN2POLBFFAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470813-B2 Thiazoline and oxazoline derivatives and their methods of use ABBVIE INC. (US) 2013-06-25 US disclosed
US-20100190776-A1 Thiazoline and Oxazoline Derivatives and Their Methods of Use ABBOTT LABORATORIES (US) 2010-07-29 US disclosed
US-7683084-B2 Thiazoline and oxazoline derivatives and their methods of use ABBOTT LABORATORIES (US) 2010-03-23 US disclosed
CN-101479262-A Thiazoline and oxazoline derivatives and their methods of use ABBOTT LAB (US) 2009-07-08 CN disclosed
US-20080070929-A1 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE ABBVIE INC. 2008-03-20 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-20100190776-A1 Thiazoline and Oxazoline Derivatives and Their Methods of Use OXA1L, CYP3A7, ABAT ALDH1A1 254/4885SMN1; SMN2 2018/4885HPGD 966/4885
US-20080070929-A1 THIAZOLINE AND OXAZOLINE DERIVATIVES AND THEIR METHODS OF USE OXA1L, CYP3A7, ABAT ALDH1A1 254/4885SMN1; SMN2 2018/4885HPGD 966/4885

“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.