SCHEMBL7171815

SCHEMBL7171815

NNC(=O)c1ccnc(C(=O)NN)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
MPO P05164 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP1A2 P05177 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2A6 P11509 1/20 0.57
CYP2C19 P33261 1/20 0.57
ALDH1A1 P00352 5/20 0.50
FTO Q9C0B1 4/20 0.50
P2RX7 Q99572 3/20 0.50
ALKBH5 Q6P6C2 3/20 0.50
MAPT P10636 3/20 0.50
KDM5A P29375 2/20 0.50
KDM6B O15054 1/20 0.50
TET3 O43151 1/20 0.50
KDM4A O75164 1/20 0.50
BBOX1 O75936 1/20 0.50
KDM5C P41229 1/20 0.50
ASPH Q12797 1/20 0.50

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
SCHEMBL2345028 0.87 KDM4E (0.52) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL27212647 0.81 P2RX7 (0.50) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL2635589 0.81 KDM4E (0.57) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL17850259 0.81 P2RX7 (0.50) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL1417739 0.81 GABRP (0.63) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL31345733 0.81 P2RX7 (0.50) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL4002804 0.81 KDM4E (0.45) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL4008467 0.81 KDM4E (0.45) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL1505656 0.79 ALDH1A1 (0.61) KDM4EMPOCYP3A4CYP1A2ADORA3
SCHEMBL2997667 0.79 KDM4E (0.55) KDM4EMPOCYP3A4CYP1A2ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021075528-A1 METHOD FOR EVALUATING DRUG TOXICITY 公立大学法人横浜市立大学 2021-04-22 WO disclosed
WO-2003053347-A2 GALLIUMCOMPLEXES OF 3-HYDROXY-4-PYRONES TO TREAT MYCOBACTERIAL INFECTIONS BERNSTEIN LAWRENCE R (US) 2003-07-03 WO disclosed
US-20020068761-A1 Gallium complexes of 3-hydroxy-4-pyrones to treat mycobacterial infections BERNSTEIN LAWRENCE R (US) 2002-06-06 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-20020068761-A1 Gallium complexes of 3-hydroxy-4-pyrones to treat mycobacterial infections PGLS, MDH1, GCDH KDM4E 757/4885MPO 1404/4885CYP3A4 235/4885

“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.