SCHEMBL12315873

SCHEMBL12315873

C=C1Nc2ccc(Br)cc2C12NN=C(c1ccccc1)S2

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 18/20 0.76
SLC27A2 O14975 1/20 0.76
ALDH1A1 P00352 3/20 0.52
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.52
MAPK1 P28482 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HPGD P15428 2/20 0.52
XBP1 P17861 1/20 0.52
MDM2 Q00987 1/20 0.52
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL4355848 0.86 ADAMTS5 (1.00) ADAMTS5SLC27A2ALDH1A1LMNASMN1; SMN2
SCHEMBL12315872 0.84 ADAMTS5 (0.55) ADAMTS5SLC27A2ALDH1A1LMNASMN1; SMN2
SCHEMBL6272079 0.71 ADAMTS5 (0.74) ADAMTS5SLC27A2ALDH1A1LMNASMN1; SMN2
SCHEMBL24571119 0.71 ADAMTS5 (0.74) ADAMTS5SLC27A2ALDH1A1LMNASMN1; SMN2
SCHEMBL24571274 0.71 ADAMTS5 (0.74) ADAMTS5SLC27A2ALDH1A1LMNASMN1; SMN2
SCHEMBL4354096 0.71 ADAMTS5 (1.00) ADAMTS5SLC27A2ALDH1A1LMNASMN1; SMN2
SCHEMBL12315860 0.71 ADAMTS5 (0.72) ADAMTS5SLC27A2ALDH1A1LMNASMN1; SMN2
SCHEMBL4201238 0.70 ADAMTS5 (1.00) ADAMTS5SLC27A2ALDH1A1LMNASMN1; SMN2
SCHEMBL22571267 0.69 ADAMTS5 (0.70) ADAMTS5SLC27A2ALDH1A1LMNASMN1; SMN2
SCHEMBL22571281 0.69 ADAMTS5 (0.70) ADAMTS5SLC27A2ALDH1A1LMNASMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431582-B2 Inhibitors of fatty acid uptake and methods of use NUTECH VENTURES (US) 2013-04-30 US disclosed
US-8410118-B2 Inhibitors of fatty acid uptake and methods of use NUTECH VENTURES (US) 2013-04-02 US disclosed
US-20120309772-A1 INHIBITORS OF FATTY ACID UPTAKE AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH 2012-12-06 US disclosed
US-20120302585-A1 INHIBITORS OF FATTY ACID UPTAKE AND METHODS OF USE Nutech Ventures, a Nebraska corporation 2012-11-29 US disclosed
US-8263640-B2 Inhibitors of fatty acid uptake and methods of use NUTECH VENTURES (US) 2012-09-11 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-20120302585-A1 INHIBITORS OF FATTY ACID UPTAKE AND METHODS OF USE SLC27A2, SLC27A1, FABP4 ADAMTS5 3277/4885SLC27A2 1/4885ALDH1A1 2034/4885
US-20120309772-A1 INHIBITORS OF FATTY ACID UPTAKE AND METHODS OF USE SLC27A2, SLC27A1, FABP4 ADAMTS5 3277/4885SLC27A2 1/4885ALDH1A1 2034/4885

“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.