SCHEMBL3515877

SCHEMBL3515877

CC(=O)Cc1c([N+](=O)[O-])ccc(N)c1F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 5/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
POLB P06746 3/20 0.39
CYP3A4 P08684 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 2/20 0.37
RECQL P46063 1/20 0.37
GPR35 Q9HC97 1/20 0.36
CYP1A2 P05177 1/20 0.36
ATM Q13315 1/20 0.35
PKM P14618 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL297761 0.86 ATM (0.40) LMNATSHRTDP1MAPTALDH1A1
SCHEMBL30365116 0.84 SMN1; SMN2 (0.44) LMNATSHRTDP1MAPTALDH1A1
SCHEMBL1226349 0.84 SMN1; SMN2 (0.44) LMNATSHRTDP1MAPTALDH1A1
SCHEMBL27542150 0.81 MAPT (0.43) LMNATSHRMAPTALDH1A1MEN1
SCHEMBL297502 0.81 SMN1; SMN2 (0.43) LMNATSHRTDP1ALDH1A1POLB
SCHEMBL6057727 0.79 MAPT (0.38) LMNATSHRTDP1MAPTALDH1A1
SCHEMBL6057969 0.78 TSHR (0.43) LMNATSHRTDP1MAPTALDH1A1
SCHEMBL3002755 0.76 ALDH1A1 (0.43) LMNATSHRTDP1MAPTALDH1A1
SCHEMBL2803959 0.75 CYP1A2 (0.39) LMNATSHRTDP1MAPTALDH1A1
SCHEMBL4063467 0.74 ALDH1A1 (0.50) LMNATSHRTDP1MAPTALDH1A1

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-2194787-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY Curis, Inc. (US) 2010-06-16 EP disclosed
WO-2009036055-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
WO-2009036055-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-03-19 WO disclosed
US-20090076044-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-03-19 US disclosed
US-20090076044-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. 2009-03-19 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-20090076044-A1 VEGFR INHIBITORS CONTAINING A ZINC BINDING MOIETY KDR, HDAC1, FLT4 LMNA 4291/4885TSHR 1208/4885TDP1 3149/4885

“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.