SCHEMBL1163425

SCHEMBL1163425

O[C](F)c1ccc2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.64
▸ CNR2 P34972 3/20 0.58
▸ HDAC8 Q9BY41 1/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ NFKB1 P19838 1/20 0.53
▸ NFKB2 Q00653 1/20 0.53
▸ RELA Q04206 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.52
▸ MAPT P10636 3/20 0.52
▸ LMNA P02545 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ KDM4C Q9H3R0 1/20 0.50
▸ KDM4E B2RXH2 3/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ CYP1A2 P05177 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TP53 P04637 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
SCHEMBL1163452 0.84 MGAM (0.61) MGAMCNR2HDAC8SMN1; SMN2RAB9A
Quinaldic Acid SCHEMBL29350584 0.78 MGAM (1.00) MGAMCNR2HDAC8SMN1; SMN2RAB9A
Quinaldic Acid SCHEMBL39024 0.78 MGAM (1.00) MGAMCNR2HDAC8SMN1; SMN2RAB9A
SCHEMBL4596660 0.78 MGAM (0.64) MGAMCNR2HDAC8SMN1; SMN2RAB9A
SCHEMBL12256867 0.78 MGAM (0.64) MGAMCNR2HDAC8SMN1; SMN2RAB9A
SCHEMBL31028622 0.78 MGAM (0.64) MGAMCNR2HDAC8SMN1; SMN2RAB9A
Quinaldic Acid SCHEMBL1242670 0.78 MGAM (1.00) MGAMCNR2HDAC8SMN1; SMN2RAB9A
SCHEMBL1163226 0.78 MGAM (0.53) MGAMCNR2HDAC8SMN1; SMN2RAB9A
Quinaldic Acid SCHEMBL4802724 0.77 MGAM (0.96) MGAMCNR2HDAC8SMN1; SMN2RAB9A
Quinaldic Acid SCHEMBL2372429 0.77 MGAM (0.96) MGAMCNR2HDAC8SMN1; SMN2RAB9A

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-8497368-B2 Heterocyclic hydrazone compounds NOVARTIS AG (CH) 2013-07-30 — — US disclosed
EP-2464649-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS AND THEIR USES TO TREAT CANCER AND INFLAMMATION Novartis AG (CH) 2012-06-20 — — EP disclosed
US-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS NOVARTIS AG (CH) 2012-06-07 — — US disclosed
WO-2011018454-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS AND THEIR USES TO TREAT CANCER AND INFLAMMATION NOVARTIS AG (CH) 2011-02-17 — — 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-20120142681-A1 HETEROCYCLIC HYDRAZONE COMPOUNDS MET, HGF, RET MGAM 3430/4885CNR2 775/4885HDAC8 712/4885

“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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