SCHEMBL4148162

SCHEMBL4148162

COC(=O)Cn1cc(C#N)c(-c2cc(C(F)(F)F)cc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
GAA P10253 5/20 0.45
MEN1 O00255 4/20 0.45
LMNA P02545 3/20 0.45
HTT P42858 2/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MMP2 P08253 1/20 0.37
MMP13 P45452 1/20 0.37
TACR1 P25103 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36

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
SCHEMBL4140420 0.91 KMT2A (0.44) KMT2AGAAMEN1LMNAHTT
SCHEMBL4144085 0.80 PTGDR2 (0.42) GAALMNACNR1ALDH1A1HSD17B10
SCHEMBL3597829 0.79 AR (0.35) GAAMAPTALDH1A1POLB
SCHEMBL4163738 0.79 MEN1 (0.46) KMT2AGAAMEN1LMNAHTT
SCHEMBL3597643 0.79 CNR1 (0.39) KMT2AGAAMEN1LMNAMAPT
SCHEMBL3599843 0.78 AR (0.40) GAAMAPTALDH1A1POLBTACR1
SCHEMBL3590430 0.78 CNR1 (0.41) KMT2AMEN1LMNANPSR1CNR1
SCHEMBL3917987 0.77 GAA (0.44) GAALMNAHTTSMN1; SMN2NPSR1
SCHEMBL3605409 0.76 EPHX2 (0.40) KMT2AGAALMNAHTTMAPT
SCHEMBL3600834 0.76 GPBAR1 (0.33) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209552-A1 Organic Compounds NOVARTIS AG 2009-08-20 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-20090209552-A1 Organic Compounds SLCO1B3, SLCO1B1, SLC10A6 KMT2A 803/4885GAA 2691/4885MEN1 594/4885

“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.