SCHEMBL17484528

SCHEMBL17484528

c1cn(CCNC2CCNCC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 4/20 0.42
GAA P10253 1/20 0.42
TBXAS1 P24557 2/20 0.42
RAD52 P43351 1/20 0.41
CYP2B6 P20813 1/20 0.39
GNAI3 P08754 2/20 0.38
GNAO1 P09471 2/20 0.38
GNAI1 P63096 2/20 0.38
SOS1 Q07889 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EGLN3 Q9H6Z9 1/20 0.37

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
SCHEMBL8164980 0.76 CYP2B6 (0.46) TBXAS1CYP2B6EGLN3CYP11B1CYP11B2
SCHEMBL4142467 0.74 QPCT (0.50) QPCTGAATBXAS1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL10845833 0.73 CYP2B6 (0.44) QPCTTBXAS1CYP2B6EGLN3CYP11B1
SCHEMBL6174188 0.73 TBXAS1 (0.52) QPCTGAATBXAS1CYP2B6
SCHEMBL1088292 0.71 CYP2B6 (0.68) TBXAS1CYP2B6ALDH1A1CYP11B1CYP11B2
SCHEMBL10844142 0.71 CYP2B6 (0.49) QPCTGAATBXAS1CYP2B6EGLN3
SCHEMBL7766584 0.71 MEN1 (0.54) QPCTGAAGNAI3GNAO1GNAI1
SCHEMBL4954773 0.70 QPCT (0.46) QPCTGAATBXAS1CYP1A2CYP3A4
SCHEMBL8543494 0.69 CYP2B6 (0.39) QPCTTBXAS1CYP2B6CYP11B1CYP11B2
SCHEMBL2093468 0.69 QPCT (0.48) QPCTGAATBXAS1CYP1A2CYP3A4

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-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 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-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT QPCT 398/4885GAA 934/4885TBXAS1 1674/4885

“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.