SCHEMBL20045569

SCHEMBL20045569

CCCc1cccc(CCCCc2cccnc2)c1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
HRH1 P35367 2/20 0.57
CYP2A6 P11509 1/20 0.56
TBXAS1 P24557 7/20 0.53
CHRNA7 P36544 2/20 0.50
HRH4 Q9H3N8 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
TRPV1 Q8NER1 1/20 0.47
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 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
SCHEMBL30672504 0.87
SCHEMBL173147 0.87
SCHEMBL20927237 0.86 TDP1 (0.54) TDP1L3MBTL1TBXAS1CHRNA7HRH4
SCHEMBL135032 0.85 TDP1 (1.00) TDP1L3MBTL1HRH1CYP2A6TBXAS1
Ammonia Solution, Strong SCHEMBL2797706 0.85 TDP1 (0.71) TDP1L3MBTL1HRH1CYP2A6TBXAS1
Bromide SCHEMBL14801915 0.85 TDP1 (0.71) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL11563304 0.85 TDP1 (0.71) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL25381701 0.84 TDP1 (0.96) TDP1L3MBTL1HRH1CYP2A6TBXAS1
SCHEMBL25382598 0.84 TDP1 (0.96) TDP1L3MBTL1HRH1CYP2A6TBXAS1
Bromide SCHEMBL15822430 0.84 TDP1 (0.96) TDP1L3MBTL1HRH1CYP2A6TBXAS1

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-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same DREXEL UNIVERSITY (US) 2019-09-17 US disclosed
US-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same UNIV DREXEL (US) 2018-04-12 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-20180099972-A1 Compounds Useful for Inhibiting Metastasis from Cancer and Methods Using Same CX3CR1, CCL2, CCR5 TDP1 4110/4885L3MBTL1 4128/4885HRH1 1832/4885
US-10414771-B2 Compounds useful for inhibiting metastasis from cancer and methods using same CX3CR1, CCL2, CCR5 TDP1 4110/4885L3MBTL1 4128/4885HRH1 1832/4885

“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.