SCHEMBL4882471

SCHEMBL4882471

COc1cccc(C2(C#N)CCC(N3CCN(C(=O)O)CC3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 5/20 0.48
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
MGLL Q99685 3/20 0.44
CYP2D6 P10635 1/20 0.44
PDE4B Q07343 1/20 0.43
PKM P14618 1/20 0.43
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM2B Q8NHM5 1/20 0.41

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
SCHEMBL4882467 1.00 KMT2A (0.57) KMT2AALDH1A1KDM4ELMNATSHR
SCHEMBL4882462 1.00 KMT2A (0.57) KMT2AALDH1A1KDM4ELMNATSHR
SCHEMBL5473543 0.92 KMT2A (0.60) KMT2AALDH1A1KDM4ELMNATSHR
SCHEMBL5470184 0.92 KMT2A (0.57) KMT2AALDH1A1KDM4ELMNATSHR
SCHEMBL5470188 0.92 KMT2A (0.57) KMT2AALDH1A1KDM4ELMNATSHR
SCHEMBL5482409 0.90 KDM4E (0.60) KMT2AALDH1A1KDM4ELMNATSHR
SCHEMBL5482405 0.90 KDM4E (0.60) KMT2AALDH1A1KDM4ELMNATSHR
SCHEMBL5469237 0.89 KMT2A (0.48) KMT2AALDH1A1KDM4EMGLLCYP2D6
SCHEMBL5469243 0.89 KMT2A (0.48) KMT2AALDH1A1KDM4EMGLLCYP2D6
SCHEMBL5469239 0.89 KMT2A (0.48) KMT2AALDH1A1KDM4EMGLLCYP2D6

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-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 KMT2A 1132/4885ALDH1A1 2899/4885KDM4E 768/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 KMT2A 1301/4885ALDH1A1 2990/4885KDM4E 728/4885

“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.