SCHEMBL6502932

SCHEMBL6502932

Cc1c(O)c2ccccc2c2nc(NCCCN3CCOCC3)sc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
GAA P10253 2/20 0.51
LMNA P02545 2/20 0.51
NPC1 O15118 1/20 0.51
GLA P06280 1/20 0.51
RAD52 P43351 1/20 0.51
RAB9A P51151 1/20 0.51
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
MAPK1 P28482 3/20 0.49
TSHR P16473 3/20 0.48
ALOX15 P16050 2/20 0.48
TP53 P04637 1/20 0.48
IDO1 P14902 1/20 0.48
ACP1 P24666 2/20 0.46
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.45

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 SCHEMBL6075117 0.99 KDM4E (0.51) KDM4EKMT2APOLBNPSR1GAA
SCHEMBL22640091 0.75 IDO1 (0.66) KDM4EKMT2APOLBNPSR1GAA
Hydrochloric Acid SCHEMBL6074710 0.74 PTGS1 (0.63) KDM4EKMT2APOLBGAANPC1
SCHEMBL10540588 0.71 KDM4E (0.55) KDM4EKMT2APOLBNPSR1GAA
Hydrochloric Acid SCHEMBL6742627 0.71 KDM4E (0.43) KDM4EKMT2APOLBNPSR1GAA
SCHEMBL22640009 0.71 IDO1 (0.60) KDM4EKMT2APOLBNPSR1LMNA
SCHEMBL6746578 0.71 PTGS1 (0.60) KDM4EKMT2AGAAGLAPTGS1
Hydrochloric Acid SCHEMBL6075219 0.70 PTGS1 (0.58) KDM4EKMT2AGAAGLAPTGS1
Hydrochloric Acid SCHEMBL6074699 0.70 PTGS1 (0.57) GAARAB9APTGS1PTGS2TSHR
SCHEMBL12330716 0.69 TLR9 (0.66) KDM4EKMT2APOLBNPSR1LMNA

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-6689777-B2 DEPOLYMERIZING HEMOZOIN USING 2-IMINO-NAPHTHO(1,2-D)THIAZOL-5-OL DERIVATIVES KENNETH S. WARREN INSTITUTE 2004-02-10 US claimed
US-20030186993-A1 Anti-malarial compounds, compositions and methods KENNETH S. WARREN INSTITUTE 2003-10-02 US claimed
US-20050245512-A1 Method and composition for rejuvinating cells, tissues organs, hair and nails ULRICH PETER C 2005-11-03 US disclosed
US-6777557-B2 Method and composition for rejuvenating cells, tissues organs, hair and nails FARRINGTON PHARMACEUTICALS, LLC 2004-08-17 US disclosed
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 (2 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-20050245512-A1 Method and composition for rejuvinating cells, tissues organs, hair and nails TERT, TELO2, HKDC1 KDM4E 533/4885KMT2A 1145/4885POLB 2124/4885
US-20030186993-A1 Anti-malarial compounds, compositions and methods TYR, CRYZ, RHOT2 KDM4E 1240/4885KMT2A 2497/4885POLB 1424/4885

“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.