SCHEMBL17819006

SCHEMBL17819006

Cc1noc(-c2ccc(-c3ccc(C(C(=O)O)C4CC4)cc3)cc2)c1NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.46
ENPP2 Q13822 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
ATM Q13315 1/20 0.44
JAK2 O60674 4/20 0.43
JAK1 P23458 4/20 0.43
TYK2 P29597 4/20 0.43
JAK3 P52333 4/20 0.43
ACHE P22303 2/20 0.43
BCHE P06276 1/20 0.43
MCHR1 Q99705 1/20 0.42
POLB P06746 1/20 0.42
LPAR1 Q92633 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
Bicarbonate SCHEMBL18167236 0.84 STAT3 (0.47) STAT3ENPP2SMN1; SMN2TSHRHTT
SCHEMBL13496 0.82 CYP2C9 (0.54) STAT3ENPP2SMN1; SMN2TSHRHTT
SCHEMBL3892 0.82 SIGMAR1 (0.48) STAT3ENPP2SMN1; SMN2TSHRHTT
SCHEMBL13675 0.81 CACNA1G (0.47) STAT3ENPP2SMN1; SMN2TSHRHTT
SCHEMBL13493 0.79 ABCC3 (0.46) STAT3ENPP2SMN1; SMN2TSHRHTT
SCHEMBL13590 0.77 CACNA1G (0.44) STAT3ENPP2SMN1; SMN2TSHRHTT
SCHEMBL9169763 0.77 CHRM4 (0.55) TSHRACHEBCHESIGMAR1DRD2
SCHEMBL5083782 0.72 ATM (0.55) TSHRATMACHEBCHESIGMAR1
Bromide SCHEMBL3141631 0.71 ATM (0.54) TSHRATMACHEBCHESIGMAR1
SCHEMBL4035127 0.69 HRH3 (0.49) SMN1; SMN2HTTLPAR1HSP90AA1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9993460-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2018-06-12 US disclosed
US-9974774-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2018-05-22 US disclosed
US-20160220537-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF RACE ONCOLOGY LTD. (AU) 2016-08-04 US disclosed
US-20160166546-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF RACE ONCOLOGY LTD. (AU) 2016-06-16 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-20160220537-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, CYP11B2 STAT3 2874/4885ENPP2 1659/4885SMN1; SMN2 819/4885
US-20160166546-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, MCL1 STAT3 1417/4885ENPP2 1732/4885SMN1; SMN2 1840/4885

“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.