SCHEMBL3478037

SCHEMBL3478037

[CH2]c1cccc(NC(=O)N(C)CCCN(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
HDAC6 Q9UBN7 1/20 0.40
TP53 P04637 1/20 0.40
LTA4H P09960 1/20 0.39
MITF O75030 1/20 0.39
KMT2A Q03164 1/20 0.39
MTOR P42345 1/20 0.39
LMNA P02545 1/20 0.39
NPY5R Q15761 1/20 0.39

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
SCHEMBL8927633 0.79 TP53 (0.59) HDAC6TP53
SCHEMBL17342609 0.77 MTOR (0.59) CA12CA1CA2CA9TP53
SCHEMBL1356705 0.75 MAP4K4 (0.48) CA1CA2TP53KMT2ALMNA
SCHEMBL2459476 0.73 DRD3 (0.47) KMT2A
SCHEMBL3469739 0.73 L3MBTL1 (0.49)
SCHEMBL3469997 0.73 ALDH1A1 (0.55) KMT2A
SCHEMBL27406749 0.72 ALDH1A1 (0.53) CA12CA1CA2CA9HDAC6
SCHEMBL13060856 0.72 AOC3 (0.53) CA12CA1CA2CA9HDAC6
SCHEMBL3478036 0.71 ROCK2 (0.49) HDAC6TP53LTA4H
SCHEMBL17342628 0.70 NPY5R (0.51) CA12CA1CA2CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
EP-2191832-A1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2010-06-02 EP disclosed
US-20040180912-A1 Quinazoline derivatives NOVARTIS AG (CH) 2004-09-16 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-20040180912-A1 Quinazoline derivatives PTH1R, PTMS, CALCA CA12 806/4885CA1 80/4885CA2 23/4885

“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.