SCHEMBL2398097

SCHEMBL2398097

CSc1ccc(/C=C(\C)[N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 6/20 0.62
ALDH1A1 P00352 5/20 0.60
MAPT P10636 4/20 0.60
LMNA P02545 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
JAK2 O60674 1/20 0.60
MITF O75030 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
NTSR1 P30989 1/20 0.60
CYP2C19 P33261 1/20 0.60
EGFR P00533 2/20 0.56
ABL1 P00519 1/20 0.56
ABL2 P42684 1/20 0.56
CDK2 P24941 1/20 0.46
AKR1C3 P42330 4/20 0.45
AKR1C2 P52895 3/20 0.45
AKR1C1 Q04828 3/20 0.45

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
SCHEMBL2398098 1.00 FBP1 (0.62) FBP1ALDH1A1MAPTLMNAMEN1
SCHEMBL10774416 0.87 FBP1 (0.65) FBP1ALDH1A1MAPTLMNAMEN1
SCHEMBL10774412 0.87 FBP1 (0.65) FBP1ALDH1A1MAPTLMNAMEN1
SCHEMBL11010436 0.81 FBP1 (0.57) FBP1ALDH1A1MAPTLMNAMEN1
SCHEMBL11162260 0.81 FBP1 (0.57) FBP1ALDH1A1MAPTLMNAMEN1
SCHEMBL11166841 0.81 FBP1 (0.57) FBP1ALDH1A1MAPTLMNAMEN1
SCHEMBL11046331 0.81 FBP1 (0.57) FBP1ALDH1A1MAPTLMNAMEN1
SCHEMBL11010424 0.81 FBP1 (0.57) FBP1ALDH1A1MAPTLMNAMEN1
SCHEMBL11166840 0.81 FBP1 (0.57) FBP1ALDH1A1MAPTLMNAMEN1
SCHEMBL11368512 0.81 FBP1 (0.50) FBP1ALDH1A1MAPTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8017608-B2 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2011-09-13 US disclosed
EP-1608647-B1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-09 EP disclosed
US-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors NOVARTIS AG (CH) 2006-07-06 US disclosed
EP-1608647-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS Novartis AG (CH) 2005-12-28 EP disclosed
WO-2004078754-A1 5-PHENYLTHIAZOLE DERIVATIVES AND THEIR USE AS P13 KINASE INHIBITORS NOVARTIS AG (CH) 2004-09-16 WO disclosed
US-4517192-A 6-Alkyl-5-[4-(alkylsulfinyl or alkylsulfonyl)phenyl]-2(1H)-pyridinones and their use as cardiatonics STERLING DRUG INC. (US) 1985-05-14 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-20060148822-A1 5-Phenylthiazole derivatives and their use as p13 kinase inhibitors MAP3K13, AKT3, MAP3K3 FBP1 1996/4885ALDH1A1 4017/4885MAPT 1425/4885

“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.