SCHEMBL13620698

SCHEMBL13620698

CCc1cc(Cl)ccc1Nc1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 1/20 0.46
POLB P06746 1/20 0.44
HPGD P15428 2/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 2/20 0.42
CXCL8 P10145 1/20 0.42
CYP2C9 P11712 1/20 0.42
SRC P12931 1/20 0.41
TSHR P16473 1/20 0.41
MCL1 Q07820 1/20 0.41
CA1 P00915 1/20 0.41
CA14 Q9ULX7 1/20 0.41
P2RX7 Q99572 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 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
SCHEMBL13620642 0.88 CXCL8 (0.52) SMN1; SMN2LMNAGAAPOLBCXCL8
SCHEMBL31310566 0.79 L3MBTL1 (0.54) SMN1; SMN2LMNAGAAPOLBHPGD
SCHEMBL10524630 0.79 FLT1 (0.41) SMN1; SMN2LMNAGAAPOLBHPGD
SCHEMBL23254190 0.77 SMN1; SMN2 (0.41) SMN1; SMN2LMNAGAAPOLBHPGD
SCHEMBL18710703 0.76 CRHR1 (0.43) SMN1; SMN2POLBHPGDP2RX7ALDH1A1
SCHEMBL11826802 0.75 LMNA (0.38) SMN1; SMN2LMNAGAAPOLBHPGD
SCHEMBL257058 0.73 HTR2A (0.51) SMN1; SMN2LMNAPOLBHPGDUSP2
SCHEMBL30102510 0.73 HTR2A (0.51) SMN1; SMN2LMNAPOLBHPGDUSP2
SCHEMBL155790 0.73 IDO1 (0.60) SMN1; SMN2LMNAMAPK1CYP2C9CYP1A2
SCHEMBL17553868 0.73 YTHDC1 (0.47) SMN1; SMN2POLBHPGDTSHRMCL1

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 SMN1; SMN2 2036/4885LMNA 1452/4885GAA 3851/4885

“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.