SCHEMBL2521179

SCHEMBL2521179

CC1=C(C)N(c2ccccc2C)CS1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
TP53 P04637 1/20 0.40
ADRB1 P08588 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MGLL Q99685 1/20 0.37
P2RX7 Q99572 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALOX5 P09917 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35

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
Hydrochloric Acid SCHEMBL2525284 0.98 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2HPGDDDB1CRBN
SCHEMBL27763649 0.78 NCF1 (0.41) TP53MEN1KMT2AP2RX7KDM4E
SCHEMBL27992672 0.77 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDDDB1CRBN
SCHEMBL2528768 0.76 SIGMAR1 (0.39) ALDH1A1SMN1; SMN2HPGDOPRM1OPRD1
Hydrochloric Acid SCHEMBL1697541 0.74 SIGMAR1 (0.38) ALDH1A1SMN1; SMN2HPGDOPRM1OPRD1
SCHEMBL14763651 0.72 ALDH1A1 (0.36) ALDH1A1
SCHEMBL11995119 0.69 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2HPGDDDB1CRBN
SCHEMBL16786521 0.69 DDB1 (0.52) ALDH1A1SMN1; SMN2HPGDDDB1CRBN
SCHEMBL14763648 0.68 PDCD1 (0.35) ALDH1A1HPGD
SCHEMBL11188803 0.67 DDB1 (0.42) ALDH1A1SMN1; SMN2HPGDDDB1CRBN

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
EP-2104566-B1 OLEFIN METATHESIS INITIATORS BEARING THIAZOL-2-YLIDENE LIGANDS CALIFORNIA INST OF TECHN (US) 2016-01-27 EP disclosed
US-8039566-B2 Olefin metathesis initiators bearing thiazol-2-ylidene ligands CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2011-10-18 US disclosed
US-20100144987-A1 OLEFIN METATHESIS INITIATORS BEARING THIAZOL-2-YLIDENE LIGANDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2010-06-10 US disclosed
EP-2104566-A1 OLEFIN METATHESIS INITIATORS BEARING THIAZOL-2-YLIDENE LIGANDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2009-09-30 EP disclosed
WO-2008064223-A1 OLEFIN METATHESIS INITIATORS BEARING THIAZOL-2-YLIDENE LIGANDS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2008-05-29 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 (1 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-20100144987-A1 OLEFIN METATHESIS INITIATORS BEARING THIAZOL-2-YLIDENE LIGANDS TEC, OXER1, CCNL2 ALDH1A1 510/4885SMN1; SMN2 4565/4885HPGD 1964/4885

“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.