SCHEMBL15328112

SCHEMBL15328112

CC(C(=O)O)c1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ESPL1 Q14674 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDK1 Q15118 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 2/20 0.38
TSHR P16473 1/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
RAB9A P51151 1/20 0.37
VCAM1 P19320 1/20 0.37

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
SCHEMBL8877937 1.00 AKR1C3 (0.41) AKR1C3AKR1C2SMN1; SMN2ESPL1ATM
SCHEMBL16216362 0.90 AKR1C3 (0.41) AKR1C3AKR1C2SMN1; SMN2ESPL1ATM
SCHEMBL16207553 0.90 AKR1C3 (0.41) AKR1C3AKR1C2SMN1; SMN2ESPL1ATM
SCHEMBL24875354 0.88 AKR1C3 (0.40) AKR1C3AKR1C2SMN1; SMN2ESPL1ATM
SCHEMBL30192986 0.88 AKR1C3 (0.40) AKR1C3AKR1C2SMN1; SMN2ESPL1ATM
SCHEMBL29231752 0.88 AKR1C3 (0.40) AKR1C3AKR1C2SMN1; SMN2ESPL1ATM
SCHEMBL24875688 0.86 AKR1C3 (0.39) AKR1C3AKR1C2SMN1; SMN2ESPL1ATM
SCHEMBL30192755 0.86 AKR1C2 (0.39) AKR1C3AKR1C2SMN1; SMN2ESPL1ATM
SCHEMBL24876445 0.86 AKR1C2 (0.39) AKR1C3AKR1C2SMN1; SMN2ESPL1ATM
SCHEMBL30875133 0.86 AKR1C3 (0.39) AKR1C3AKR1C2SMN1; SMN2ESPL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2838531-B1 INDOLIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS ANNJI PHARM CO LTD (CN) 2016-09-21 EP disclosed
US-8946282-B2 Indolin-2-one derivatives as protein kinase inhibitors Annji Pharmaceutical Co., Ltd. (TW) 2015-02-03 US disclosed
US-20130281451-A1 INDOLIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS Annji Pharmaceutical Co., Ltd. (TW) 2013-10-24 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-20130281451-A1 INDOLIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS ING2, CDK2, MAP3K20 AKR1C3 3297/4885AKR1C2 2304/4885SMN1; SMN2 4172/4885

“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.