SCHEMBL12367217

SCHEMBL12367217

CC(=O)c1cc(Cl)ncc1NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.49
▸ MITF O75030 1/20 0.47
▸ MAPT P10636 9/20 0.47
▸ GAA P10253 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ KMT2A Q03164 7/20 0.46
▸ MEN1 O00255 6/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ LMNA P02545 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ SERPINE1 P05121 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ TDO2 P48775 1/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ CYP2C9 P11712 2/20 0.43

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
SCHEMBL21596393 0.82 MITF (0.57) RAB9AMITFMAPTGAAALDH1A1
SCHEMBL30379404 0.82 MITF (0.57) RAB9AMITFMAPTGAAALDH1A1
SCHEMBL2184586 0.79 MEN1 (0.48) ALDH1A1KMT2AMEN1LMNAPOLB
SCHEMBL12367220 0.77 MAOB (0.40) RAB9AMAPTNPC1KMT2AMEN1
SCHEMBL21600877 0.75 MAPT (0.48) RAB9AMITFMAPTGAAALDH1A1
SCHEMBL30380185 0.75 MAPT (0.48) RAB9AMITFMAPTGAAALDH1A1
SCHEMBL3730790 0.71 KDM4E (0.76) KMT2AMEN1KDM4E
SCHEMBL2475219 0.70 RAB9A (0.56) RAB9AMITFMAPTGAAALDH1A1
SCHEMBL2184619 0.70 CA12 (0.44) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL30287096 0.70 CA12 (0.43) MAPTKMT2AMEN1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735424-B2 Bicyclic kinase inhibitors NOVARTIS AG (CH) 2014-05-27 — — US disclosed
US-20110195980-A1 Bicyclic Kinase Inhibitors NOVARTIS AG (CH) 2011-08-11 — — 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-20110195980-A1 Bicyclic Kinase Inhibitors PIM1, PIM2, PIM3 RAB9A 3490/4885MITF 1561/4885MAPT 3216/4885

“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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