SCHEMBL3489565

SCHEMBL3489565

CC(Oc1cccc(F)c1[N+](=O)[O-])C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
TSHR P16473 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL17165866 0.83 MAPT (0.43) KMT2AALDH1A1GAATSHRLMNA
SCHEMBL11093485 0.83 KMT2A (0.43) KMT2AALDH1A1GAALMNACYP1A2
SCHEMBL11084256 0.79 HTR2A (0.45) KMT2AGAATSHRHTR2AHTR2C
SCHEMBL18128263 0.78 HSPB1 (0.43) KMT2AALDH1A1GAATSHRCYP1A2
SCHEMBL18128155 0.78 HSPB1 (0.43) KMT2AALDH1A1GAATSHRCYP1A2
SCHEMBL29249699 0.78 GAA (0.66) KMT2AALDH1A1GAATSHRHTR2A
SCHEMBL9780966 0.78 GAA (0.66) KMT2AALDH1A1GAATSHRHTR2A
SCHEMBL9780972 0.78 GAA (0.66) KMT2AALDH1A1GAATSHRHTR2A
SCHEMBL11091006 0.77 KMT2A (0.43) KMT2AALDH1A1GAAHPGDNPSR1
SCHEMBL11087937 0.77 KMT2A (0.43) KMT2AALDH1A1GAALMNAHPGD

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-20100094000-A1 PYRAZOLE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 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-20100094000-A1 PYRAZOLE COMPOUNDS NR3C2, MC2R, NR3C1 KMT2A 2289/4885ALDH1A1 1704/4885GAA 4647/4885

“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.