SCHEMBL5529181

SCHEMBL5529181

CC(C)Nc1cc(-c2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
ALDH1A1 P00352 2/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 4/20 0.45
HCAR3 P49019 1/20 0.43
AKR1B1 P15121 1/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
AKR1C1 Q04828 1/20 0.43
POLB P06746 1/20 0.41
KIF11 P52732 3/20 0.41
GAA P10253 2/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL5525981 0.85 KIF11 (0.53) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL115470 0.80 MAPT (0.70) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL3900786 0.76 TDP1 (0.55) MAPTCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL118610 0.76 HCAR3 (0.52) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3897949 0.76 HDAC2 (0.53) KIF11
SCHEMBL30135470 0.75 MAPT (0.58) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2975856 0.75 MAPT (0.58) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4594989 0.74 TTR (0.52) MAPTCYP3A4ALDH1A1MEN1KMT2A
SCHEMBL3903976 0.73 KIF11 (0.51) MAPTCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL4596487 0.73 TDP1 (0.41) MAPTCYP3A4ALDH1A1MEN1KMT2A

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-20070142460-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2007-06-21 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-20070142460-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 MAPT 2834/4885CYP1A2 4354/4885CYP3A4 4658/4885

“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.