SCHEMBL3058644

SCHEMBL3058644

O=C(NOC1CCCCO1)c1ccc(CNC(=O)c2cn3c4c(cccc24)CN(C(=O)O)CC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.40
MAPK14 Q16539 11/20 0.38
MAPK11 Q15759 4/20 0.37
DDR1 Q08345 2/20 0.37
DDR2 Q16832 2/20 0.37
MAP3K20 Q9NYL2 2/20 0.37
MAP3K2 Q9Y2U5 2/20 0.37
TNF P01375 1/20 0.37
KIT P10721 1/20 0.37
MYLK4 Q86YV6 1/20 0.37
RPS6KA6 Q9UK32 1/20 0.37
EPHX2 P34913 1/20 0.36
NAMPT P43490 1/20 0.36
EP300 Q09472 1/20 0.35
CREBBP Q92793 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34

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
SCHEMBL3065623 0.91 LMNA (0.42) P2RX3
SCHEMBL8078748 0.84 SMN1; SMN2 (0.38) P2RX3
SCHEMBL3054312 0.80 ALDH1A1 (0.43) NAMPT
SCHEMBL3058652 0.74 P2RX3 (0.36) P2RX3MAPK14MAPK11DDR1DDR2
SCHEMBL3044391 0.73 SMN1; SMN2 (0.47) EPHX2NAMPT
SCHEMBL3053596 0.72 EP300 (0.42) EPHX2EP300CREBBPCNR1CNR2
SCHEMBL1025307 0.71 KMT2A (0.46) NAMPT
SCHEMBL3060167 0.71 SMN1; SMN2 (0.47) NAMPT
SCHEMBL28806104 0.70 TACR3 (0.58)
SCHEMBL3054218 0.70 HTT (0.49) EPHX2CNR2

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-20100261710-A1 HDAC Inhibitors ARQULE, INC. (US) 2010-10-14 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-20100261710-A1 HDAC Inhibitors HDAC5, HDAC1, HDAC4 P2RX3 4527/4885MAPK14 2332/4885MAPK11 1875/4885

“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.