SCHEMBL18153563

SCHEMBL18153563

CCCCn1c(N)c(C(=O)NCc2ccccc2)c2nc3ccccc3nc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 18/20 0.74
GAA P10253 16/20 0.74
MAPT P10636 16/20 0.74
ALDH1A1 P00352 15/20 0.74
HPGD P15428 15/20 0.74
GLA P06280 13/20 0.74
THRB P10828 6/20 0.74
KMT2A Q03164 6/20 0.74
MEN1 O00255 5/20 0.74
CYP1A2 P05177 2/20 0.74
CYP2C9 P11712 2/20 0.74
CYP2C19 P33261 2/20 0.74
CYP2D6 P10635 1/20 0.74
L3MBTL1 Q9Y468 7/20 0.71
LMNA P02545 7/20 0.69
APAF1 O14727 4/20 0.69
CYP3A4 P08684 1/20 0.69
CASP1 P29466 8/20 0.68
CASP7 P55210 8/20 0.68
HSD17B10 Q99714 8/20 0.68

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
SCHEMBL15032615 0.84 KDM4E (0.61) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL14907744 0.78 GRK6 (1.00) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL6980640 0.78 GRK6 (0.70) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL14907745 0.77 GRK6 (1.00) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL15032613 0.73 KDM4E (1.00) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL8163981 0.73 KDM4E (0.73) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL15256914 0.71 SAE1 (1.00) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL6981091 0.70 GRK6 (1.00) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL30656632 0.70 GRK6 (1.00) KDM4EGAAMAPTALDH1A1HPGD
SCHEMBL13991143 0.70 CNR2 (0.67) KDM4EMAPTALDH1A1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180087086-A1 CELL EGRESS AND INVASION INHIBITORS AND THEIR USE AS ANTIPARASITICAL AGENTS THE JOHNS HOPKINS UNIVERSITY 2018-03-29 US claimed
WO-2016168536-A1 CELL EGRESS AND INVASION INHIBITORS AND THEIR USE AS ANTIPARASITICAL AGENTS THE JOHNS HOPKINS UNIVERSITY (US) 2016-10-20 WO claimed
US-20180087086-A1 CELL EGRESS AND INVASION INHIBITORS AND THEIR USE AS ANTIPARASITICAL AGENTS THE JOHNS HOPKINS UNIVERSITY 2018-03-29 US disclosed
US-20180087086-A1 CELL EGRESS AND INVASION INHIBITORS AND THEIR USE AS ANTIPARASITICAL AGENTS THE JOHNS HOPKINS UNIVERSITY 2018-03-29 US disclosed
US-20180087086-A1 CELL EGRESS AND INVASION INHIBITORS AND THEIR USE AS ANTIPARASITICAL AGENTS THE JOHNS HOPKINS UNIVERSITY 2018-03-29 US disclosed
WO-2016168536-A1 CELL EGRESS AND INVASION INHIBITORS AND THEIR USE AS ANTIPARASITICAL AGENTS THE JOHNS HOPKINS UNIVERSITY (US) 2016-10-20 WO 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-20180087086-A1 CELL EGRESS AND INVASION INHIBITORS AND THEIR USE AS ANTIPARASITICAL AGENTS MMP8, MIF, MMP3 KDM4E 3546/4885GAA 1361/4885MAPT 4278/4885

“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.