SCHEMBL13620642

SCHEMBL13620642

CCc1ccccc1Nc1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 2/20 0.52
CYP2C9 P11712 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
MAPT P10636 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
MAPK14 Q16539 1/20 0.44
LMNA P02545 3/20 0.43
P2RX7 Q99572 3/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS1 P23219 1/20 0.40

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
SCHEMBL13620698 0.88 SMN1; SMN2 (0.46) CXCL8CYP2C9SMN1; SMN2ALDH1A1GAA
SCHEMBL6241965 0.81 CXCL8 (0.79) CXCL8CYP2C9PTGS1
SCHEMBL1548694 0.80 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1GAAMAPTRAB9A
SCHEMBL31310566 0.75 L3MBTL1 (0.54) CXCL8CYP2C9SMN1; SMN2ALDH1A1GAA
SCHEMBL13652996 0.75 MT-CO2 (0.58) CXCL8CYP2C9ALDH1A1MAPTCYP1A2
SCHEMBL10313409 0.74 ALDH1A1 (0.53) ALDH1A1GAAMAPTRAB9AKDM4E
SCHEMBL764380 0.74 PTGS2 (0.66) CXCL8CYP2C9GAAMAPK14LMNA
SCHEMBL5383722 0.74 KDM4E (0.54) CYP2C9SMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL13608916 0.73 ALDH1A1 (0.45) SMN1; SMN2ALDH1A1GAAMAPTRAB9A
SCHEMBL13609065 0.73 SRC (0.55) SMN1; SMN2ALDH1A1GAAMAPTRAB9A

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-20090291923-A1 TRIOXANE DIMERS HAVING HIGH ANTICANCER AND LONG-LASTING ANTIMALARIAL ACTIVITIES JOHNS HOPKINS UNIVERSOTY (US) 2009-11-26 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-20090291923-A1 TRIOXANE DIMERS HAVING HIGH ANTICANCER AND LONG-LASTING ANTIMALARIAL ACTIVITIES HCCS, XPO5, DHX15 CXCL8 643/4885CYP2C9 675/4885SMN1; SMN2 2036/4885

“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.