SCHEMBL2014269

SCHEMBL2014269

COc1ccc2ncc(S)c(C=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TRIM24 O15164 1/20 0.44
TYR P14679 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
LMNA P02545 1/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
ERN1 O75460 1/20 0.41
HPGD P15428 2/20 0.40
F2 P00734 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL2942171 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EMAPK1NPSR1TRIM24
SCHEMBL591501 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EMAPK1NPSR1TRIM24
SCHEMBL2014648 0.82 ERN1 (0.56) ALDH1A1KDM4EMAPK1NPSR1TRIM24
SCHEMBL30345210 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1NPSR1TRIM24
SCHEMBL13652214 0.75 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1NPSR1TRIM24
SCHEMBL16247906 0.74 LMNA (0.58) ALDH1A1KDM4EMAPK1NPSR1LMNA
SCHEMBL2014731 0.74 PLA2G2A (0.49) ALDH1A1KDM4EMAPK1NPSR1LMNA
SCHEMBL2011583 0.73 LMNA (0.43) ALDH1A1KDM4EMAPK1NPSR1LMNA
SCHEMBL18535520 0.73 ALDH1A1 (0.66) ALDH1A1KDM4ETRIM24TYRTRIM33
SCHEMBL29954936 0.73 ALDH1A1 (0.66) ALDH1A1KDM4ETRIM24TYRTRIM33

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9120822-B2 Tricyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-09-01 US disclosed
US-20150072975-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG 2015-03-12 US disclosed
US-8927541-B2 Tricyclic antibiotics BASILEA PHARMACEUTICA AG (CH) 2015-01-06 US disclosed
EP-2513115-B1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2013-10-09 EP disclosed
EP-2513115-A1 TRICYCLIC ANTIBIOTICS Basilea Pharmaceutica AG (CH) 2012-10-24 EP disclosed
US-20120245345-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2012-09-27 US disclosed
WO-2011073378-A1 TRICYCLIC ANTIBIOTICS BASILEA PHARMACEUTICA AG (CH) 2011-06-23 WO 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-20120245345-A1 TRICYCLIC ANTIBIOTICS CBR1, CBR3, C1S ALDH1A1 2967/4885KDM4E 3896/4885MAPK1 2115/4885
US-20150072975-A1 TRICYCLIC ANTIBIOTICS TREH, MRPL21, SPOUT1 ALDH1A1 2268/4885KDM4E 2900/4885MAPK1 3582/4885

“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.