SCHEMBL6742383

SCHEMBL6742383

C/C(=N/NC(=N)N)c1ccccc1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.55
KDM1A O60341 1/20 0.55
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
NPC1 O15118 2/20 0.53
LMNA P02545 3/20 0.49
ALPL P05186 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 2/20 0.46
CCR6 P51684 2/20 0.46
CXCR5 P32302 1/20 0.46
APLNR P35414 1/20 0.46
LRRK2 Q5S007 1/20 0.46
TP53 P04637 1/20 0.46

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
Hydrochloric Acid SCHEMBL6742948 0.98 KDM4E (0.54) KDM4EKDM1AKMT2AMEN1NPC1
SCHEMBL9457769 0.86 KDM4E (0.58) KDM4EKDM1AKMT2AMEN1NPC1
SCHEMBL941840 0.83 ATM (0.62) KDM4EKDM1AKMT2AMEN1NPC1
SCHEMBL30523857 0.83 ATM (0.62) KDM4EKDM1AKMT2AMEN1NPC1
SCHEMBL5528604 0.83 ATM (0.62) KDM4EKDM1AKMT2AMEN1NPC1
SCHEMBL16993711 0.81 NPC1 (0.59) KMT2AMEN1NPC1LMNAALDH1A1
SCHEMBL12233881 0.81 ALDH1A1 (0.71) KDM4EKMT2AMEN1LMNAALDH1A1
SCHEMBL17044424 0.81 NPC1 (0.59) KMT2AMEN1NPC1LMNAALDH1A1
SCHEMBL6740395 0.81 PLK4 (0.48) KDM4EKMT2AMEN1NPC1LMNA
SCHEMBL6740400 0.81 PLK4 (0.48) KDM4EKMT2AMEN1NPC1LMNA

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
US-20030186993-A1 Anti-malarial compounds, compositions and methods KENNETH S. WARREN INSTITUTE 2003-10-02 US claimed
US-6689777-B2 DEPOLYMERIZING HEMOZOIN USING 2-IMINO-NAPHTHO(1,2-D)THIAZOL-5-OL DERIVATIVES KENNETH S. WARREN INSTITUTE 2004-02-10 US disclosed
US-20030186993-A1 Anti-malarial compounds, compositions and methods KENNETH S. WARREN INSTITUTE 2003-10-02 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-20030186993-A1 Anti-malarial compounds, compositions and methods TYR, CRYZ, RHOT2 KDM4E 1240/4885KDM1A 2808/4885KMT2A 2497/4885

“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.