SCHEMBL955587

SCHEMBL955587

CC=Cc1nc(-c2c(C)nn3ccccc23)sc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.40
KDM4E B2RXH2 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 6/20 0.34
RAB9A P51151 4/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
ATM Q13315 1/20 0.34
GAA P10253 2/20 0.34
VCP P55072 1/20 0.33
HDAC1 Q13547 1/20 0.33
NPC1 O15118 3/20 0.33
POLB P06746 2/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
XDH P47989 1/20 0.32
MIF P14174 2/20 0.32
MEN1 O00255 2/20 0.32

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
SCHEMBL955586 1.00 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EKMT2AALDH1A1RAB9A
SCHEMBL955032 0.90 LMNA (0.34) SMN1; SMN2KMT2AALDH1A1RAB9AMAPT
SCHEMBL955033 0.90 LMNA (0.34) SMN1; SMN2KMT2AALDH1A1RAB9AMAPT
SCHEMBL953113 0.81 CDC7 (0.50) SMN1; SMN2KDM4EKMT2AALDH1A1RAB9A
SCHEMBL13257569 0.80 VCP (0.30) VCP
SCHEMBL954624 0.80 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EKMT2AALDH1A1RAB9A
SCHEMBL952316 0.79 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EKMT2AALDH1A1RAB9A
SCHEMBL954881 0.77 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EKMT2AALDH1A1RAB9A
SCHEMBL953870 0.77 SMN1; SMN2 (0.39) SMN1; SMN2KDM4EKMT2AALDH1A1RAB9A
SCHEMBL953589 0.77 CDC7 (0.43) SMN1; SMN2KDM4EKMT2AALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139589-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-09-22 US disclosed
US-9090601-B2 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-07-28 US disclosed
US-20110003807-A1 Thiazole derivatives MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 US disclosed
US-20110003806-A1 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-01-06 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-20110003807-A1 Thiazole derivatives MTOR, RICTOR, AKT2 SMN1; SMN2 3758/4885KDM4E 1981/4885KMT2A 2441/4885
US-20110003806-A1 Heteroaryls and uses thereof RICTOR, MTOR, AKT1S1 SMN1; SMN2 3959/4885KDM4E 2304/4885KMT2A 2459/4885

“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.