SCHEMBL3638574

SCHEMBL3638574

Cc1nc(CC(=O)NC(C(N)=O)c2nc(C)c(-c3ccc([N+](=O)[O-])cc3)s2)sc1-c1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 1/20 0.39
MAPT P10636 8/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 2/20 0.37
THRB P10828 2/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
LMNA P02545 2/20 0.35
RECQL P46063 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP2D6 P10635 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
SCHEMBL3638579 0.83 ALDH1A1 (0.54) MAPTALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL48824 0.72 ALDH1A1 (0.46) ALDH1A1RAB9AMEN1LMNAL3MBTL1
SCHEMBL31312635 0.70 RAB9A (0.47) MAPTALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL3638578 0.69 RAB9A (0.41) MAPTALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL2396550 0.67 MAPT (0.63) MAPTALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL3602972 0.65 PIK3CD (0.50) MAPTALDH1A1SMN1; SMN2RAB9ATHRB
SCHEMBL20526726 0.65 MEN1 (0.39) MAPTALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL20526728 0.65 MEN1 (0.39) MAPTALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL48371 0.64 PIK3CD (0.67) MAPTSMN1; SMN2RAB9ATHRBMEN1
SCHEMBL31312581 0.63 KDM4E (0.39) MAPTALDH1A1SMN1; SMN2RAB9AHPGD

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 SGK1 398/4885MAPT 1132/4885ALDH1A1 3271/4885

“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.