SCHEMBL799283

SCHEMBL799283

CC(C)c1cnccc1C(=O)NC1(CO)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.37
KDM6B O15054 1/20 0.37
ACVR1B P36896 2/20 0.35
TGFBR1 P36897 2/20 0.35
IMPDH2 P12268 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
GSK3B P49841 1/20 0.33
CNR2 P34972 1/20 0.33
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33
NAMPT P43490 2/20 0.33
CYP26A1 O43174 1/20 0.33
CYP26B1 Q9NR63 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL805063 0.90 KDM4C (0.36) KDM4CKDM6BIMPDH2CNR2JAK2
SCHEMBL171942 0.82 P2RX7 (0.39) KDM4CKDM6BCNR2JAK2NTRK1
SCHEMBL14743451 0.77 KDM4E (0.46) KDM4CKDM6BNPC1RAB9ASMN1; SMN2
SCHEMBL13086655 0.75 KDM4C (0.45) KDM4CKDM6BNPC1RAB9ASMN1; SMN2
SCHEMBL798742 0.75 KDM4C (0.42) KDM4CKDM6BACVR1BTGFBR1NPC1
SCHEMBL17465921 0.70 KDM4C (0.53) KDM4CKDM6BTGFBR1MAPTALDH1A1
SCHEMBL14084348 0.70 KDM4C (0.41) KDM4CKDM6BNPC1RAB9ASMN1; SMN2
SCHEMBL16094860 0.69 TDP1 (0.55) KDM4CKDM6BTGFBR1MAPTALDH1A1
SCHEMBL13193074 0.67 HPGD (0.47) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL172133 0.64 RAB9A (0.44) KDM4CKDM6BNPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 KDM4C 3079/4885KDM6B 2058/4885ACVR1B 4151/4885

“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.