SCHEMBL4126296

SCHEMBL4126296

CCOC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ ALDH1A1 P00352 5/20 0.47
▸ MAPT P10636 4/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ MYC P01106 1/20 0.47
▸ MAX P61244 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ PDK2 Q15119 1/20 0.47
▸ LGALS3 P17931 1/20 0.47
▸ LGALS4 P56470 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46

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
SCHEMBL2294507 0.79 MAPT (0.57) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL1264453 0.79 KMT2A (0.60) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL2080343 0.78 LMNA (0.42) KMT2AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL10060154 0.78 PDK2 (0.50) KMT2AMAPTRAB9ANPC1CRHBP
SCHEMBL668192 0.77 CA12 (0.61) KMT2AMAPTRAB9ANPC1CRHBP
SCHEMBL30116615 0.77 CYP2C8 (0.55) MYCMAXLMNA
SCHEMBL2962117 0.76 PPARD (0.51) KMT2AMAPTCRHBPCRHR2PDK2
SCHEMBL13247925 0.75 RXRA (0.59) KMT2AMAPTCRHBPCRHR2PDK2
SCHEMBL2963618 0.75 ALDH1A1 (0.56) KMT2AALDH1A1MAPTRAB9ANPC1
SCHEMBL5262777 0.75 KMT2A (0.55) KMT2AALDH1A1MAPTRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170882-A1 Methods and compositions CYTOKINETICS, INCORPORATED 2009-07-02 — — US disclosed
US-20090170882-A1 Methods and compositions CYTOKINETICS, INCORPORATED 2009-07-02 — — US disclosed
EP-1771176-A2 METHODS AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2007-04-11 — — EP disclosed
WO-2006005063-A2 METHODS AND COMPOSITIONS SMITHKLINE BEECHAM CORPORATION (US) 2006-01-12 — — WO 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-20090170882-A1 Methods and compositions KIF5B, KIF5C, KIF2C KMT2A 2096/4885ALDH1A1 3367/4885MAPT 47/4885

“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.

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