SCHEMBL5478404

SCHEMBL5478404

COc1cccc(C2(C#N)CCN(C(=O)c3ccccc3)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
LMNA P02545 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.53
ALDH1A1 P00352 5/20 0.52
ABL1 P00519 3/20 0.51
BCR P11274 3/20 0.51
PKM P14618 1/20 0.49
MEN1 O00255 1/20 0.48
USP2 O75604 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
PARP10 Q53GL7 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL4815730 0.88 KMT2A (0.70) KMT2ACA12CA1CA2CA7
SCHEMBL5482409 0.88 KDM4E (0.60) KMT2ACA12CA1CA2CA7
SCHEMBL5482405 0.88 KDM4E (0.60) KMT2ACA12CA1CA2CA7
SCHEMBL5470289 0.86 KMT2A (0.70) KMT2ACA12CA1CA2CA9
SCHEMBL2495709 0.82 CA12 (0.60) CA12CA1CA2CA7CA9
SCHEMBL4813888 0.82 KMT2A (0.65) KMT2ALMNAL3MBTL1ALDH1A1
SCHEMBL3249093 0.81 KMT2A (0.63) KMT2ALMNAALDH1A1MEN1TSHR
SCHEMBL31158311 0.81 KMT2A (0.63) KMT2ALMNAALDH1A1MEN1TSHR
SCHEMBL4876711 0.80 KMT2A (0.72) KMT2AALDH1A1
SCHEMBL5475970 0.79 KMT2A (0.61) KMT2ACA12CA1CA2CA9

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-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 EP disclosed
US-20050165057-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-07-28 US disclosed
EP-1500648-A1 NOVEL PIPERIDINE DERIVATIVE SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 EP 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 (2 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-20050165057-A1 Novel piperidine derivative ACAT2, ACAT1, LCAT KMT2A 402/4885CA12 4687/4885CA1 3474/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 KMT2A 1301/4885CA12 4847/4885CA1 4573/4885

“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.