SCHEMBL3638579

SCHEMBL3638579

Cc1nc(CC(N)=O)sc1-c1ccc(N)cc1.Cc1nc(CC(N)=O)sc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RAB9A P51151 3/20 0.44
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ESR1 P03372 4/20 0.39
CYP19A1 P11511 4/20 0.39
ESR2 Q92731 4/20 0.39
CHEK1 O14757 1/20 0.39
AURKA O14965 1/20 0.39
JAK2 O60674 1/20 0.39
ABL1 P00519 1/20 0.39
NTRK1 P04629 1/20 0.39
CSF1R P07333 1/20 0.39
RET P07949 1/20 0.39

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
SCHEMBL48824 0.89 ALDH1A1 (0.46) ALDH1A1RAB9AMEN1GPR52L3MBTL1
SCHEMBL3638574 0.83 SGK1 (0.39) ALDH1A1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL3638578 0.79 RAB9A (0.41) ALDH1A1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL2396550 0.76 MAPT (0.63) ALDH1A1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL2395876 0.70 RAB9A (0.49) ALDH1A1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL3602972 0.70 PIK3CD (0.50) ALDH1A1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL48371 0.69 PIK3CD (0.67) SMN1; SMN2RAB9AMAPTMEN1KMT2A
SCHEMBL5509834 0.68 GPR52 (0.42) GPR52
SCHEMBL31312635 0.68 RAB9A (0.47) ALDH1A1SMN1; SMN2RAB9AMAPTMEN1
SCHEMBL22130133 0.68 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2RAB9AMAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS BRUCE IAN 2010-04-15 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 (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-20100093690-A1 5-PHENYLTHIAZOLE DERIVATIVES AND USE AS PI3 KINASE INHIBITORS PIK3CA, PIK3R5, PIP5K1B ALDH1A1 3271/4885SMN1; SMN2 2920/4885RAB9A 841/4885

“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.