SCHEMBL16940596

SCHEMBL16940596

CCOc1ccc2nc(N3CCCN(C(=S)Nc4ccc(F)cc4F)CC3)c(C#N)cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.62
▸ ALDH1A1 P00352 10/20 0.62
▸ KMT2A Q03164 8/20 0.62
▸ MEN1 O00255 7/20 0.62
▸ SMN1; SMN2 Q16637 5/20 0.62
▸ CASP1 P29466 4/20 0.62
▸ CASP7 P55210 4/20 0.62
▸ MAPK1 P28482 3/20 0.62
▸ TDP1 Q9NUW8 3/20 0.62
▸ LMNA P02545 2/20 0.62
▸ ATM Q13315 2/20 0.62
▸ TSHR P16473 2/20 0.62
▸ L3MBTL1 Q9Y468 4/20 0.50
▸ MAPT P10636 5/20 0.48
▸ GAA P10253 1/20 0.48
▸ ALOX15 P16050 3/20 0.47
▸ RUNX1 Q01196 1/20 0.47
▸ CBFB Q13951 1/20 0.47
▸ CFTR P13569 1/20 0.47
▸ RAB9A P51151 2/20 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
SCHEMBL1445522 0.92 KDM4E (0.69) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL12043114 0.88 KDM4E (0.64) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL12043118 0.87 ALDH1A1 (0.70) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2525573 0.82 KDM4E (0.84) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5014910 0.79 KDM4E (0.72) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL12043094 0.78 KDM4E (0.85) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL12043197 0.77 KDM4E (0.64) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL16940595 0.76 KDM4E (0.74) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL12043096 0.76 MEN1 (0.81) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL14601359 0.76 PKM (0.51) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2

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-9539261-B2 Methods and compositions for stimulating neurogenesis and inhibiting neuronal degeneration NEURONASCENT, INC. (US) 2017-01-10 — — US disclosed
US-9539261-B2 Methods and compositions for stimulating neurogenesis and inhibiting neuronal degeneration NEURONASCENT, INC. (US) 2017-01-10 — — US disclosed
US-20150209371-A1 Methods and Compositions For Stimulating Neurogenesis and Inhibiting Neuronal Degeneration NEURONASCENT, INC. 2015-07-30 — — US disclosed
US-20150209371-A1 Methods and Compositions For Stimulating Neurogenesis and Inhibiting Neuronal Degeneration NEURONASCENT, INC. 2015-07-30 — — 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-20150209371-A1 Methods and Compositions For Stimulating Neurogenesis and Inhibiting Neuronal Degeneration DCX, BDNF, GAP43 KDM4E 3732/4885ALDH1A1 874/4885KMT2A 4065/4885

“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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