SCHEMBL13312432

SCHEMBL13312432

Clc1cc(-c2ccc(Br)cc2)nc2cccnc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 9/20 0.53
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
SYK P43405 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
DHODH Q02127 1/20 0.40
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL3499713 0.82 TOP1 (0.53) TOP1SYKKDM4EMAPTLMNA
SCHEMBL5795122 0.76 ESRRB (0.51) MGAMGAASIMGAM2KDM4E
SCHEMBL829514 0.73 CCR1 (0.47) TOP1KDM4EMAPTLMNACYP1A2
SCHEMBL31373510 0.73 CCR1 (0.47) TOP1KDM4EMAPTLMNACYP1A2
SCHEMBL9709737 0.70 PRMT5 (0.50) TOP1GAAKDM4EMAPTLMNA
SCHEMBL14649499 0.70 KDM4E (0.47) TOP1KDM4EMAPTLMNACYP1A2
SCHEMBL18020161 0.69 TOP1 (1.00) TOP1DHODH
SCHEMBL16097708 0.69 ESR1 (0.46) MGAMGAASIMGAM2DHODH
SCHEMBL19305553 0.69 DHODH (0.57) TOP1KDM4EMAPTLMNADHODH
SCHEMBL17092795 0.68 CCR1 (0.55) KDM4EMAPTLMNACYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 LIPFORD GRAYSON B 2010-06-24 US disclosed
US-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 LIPFORD GRAYSON B 2010-06-24 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-20100160314-A1 Small Molecule Inhibitors of Toll-Like Receptor 9 TLR9, TLR3, TLR1 TOP1 1851/4885MGAM 2246/4885GAA 3505/4885

“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.