SCHEMBL19856462

SCHEMBL19856462

CC1CNCCCNCCNCCN1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HIF1A Q16665 1/20 0.32
MAPT P10636 1/20 0.32
PDE4A P27815 1/20 0.32
KDR P35968 1/20 0.32
ALPL P05186 1/20 0.31

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
SCHEMBL7229775 1.00 CXCR4 (0.47) CXCR4SMN1; SMN2ALDH1A1CYP2C9TSHR
SCHEMBL28981263 1.00 CXCR4 (0.47) CXCR4SMN1; SMN2ALDH1A1CYP2C9TSHR
SCHEMBL28661999 0.95 CXCR4 (0.47) CXCR4SMN1; SMN2ALDH1A1CYP2C9TSHR
SCHEMBL28981266 0.92 CXCR4 (0.42) CXCR4SMN1; SMN2ALDH1A1TSHR
SCHEMBL17344128 0.92 HIF1A (0.38) CXCR4SMN1; SMN2CYP2C9TSHRCYP2C19
SCHEMBL9172235 0.92 HIF1A (0.38) CXCR4SMN1; SMN2CYP2C9TSHRCYP2C19
Piperazine SCHEMBL7612531 0.92 HIF1A (0.38) CXCR4SMN1; SMN2CYP2C9TSHRCYP2C19
SCHEMBL8200668 0.92 HIF1A (0.38) CXCR4SMN1; SMN2CYP2C9TSHRCYP2C19
SCHEMBL18679 0.92 HIF1A (0.38) CXCR4SMN1; SMN2CYP2C9TSHRCYP2C19
SCHEMBL8200112 0.92 HIF1A (0.38) CXCR4SMN1; SMN2CYP2C9TSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200138982-A1 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY- ACADEMIC COOPERATION FOUNDATION (KR) 2020-05-07 US claimed
US-10583206-B2 Radioactive probe for detecting hydrogen sulfide Kyungpook National University Industry-Academic, Cooperation Foundation (KR) 2020-03-10 US claimed
US-20180369428-A1 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY- ACADEMIC COOPERATION FOUNDATION (KR) 2018-12-27 US claimed
EP-3281643-A2 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE Kyungpook National University Industry-Academic Cooperation Foundation (KR) 2018-02-14 EP claimed
US-20200138982-A1 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY- ACADEMIC COOPERATION FOUNDATION (KR) 2020-05-07 US disclosed
US-10583206-B2 Radioactive probe for detecting hydrogen sulfide Kyungpook National University Industry-Academic, Cooperation Foundation (KR) 2020-03-10 US disclosed
US-20180369428-A1 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY- ACADEMIC COOPERATION FOUNDATION (KR) 2018-12-27 US disclosed
EP-3281643-A2 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE Kyungpook National University Industry-Academic Cooperation Foundation (KR) 2018-02-14 EP 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 (3 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-20180369428-A1 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE TST, CTH, CBS CXCR4 3011/4885SMN1; SMN2 1369/4885ALDH1A1 1035/4885
US-20200138982-A1 RADIOACTIVE PROBE FOR DETECTING HYDROGEN SULFIDE TST, SCLY, CTH CXCR4 3652/4885SMN1; SMN2 1195/4885ALDH1A1 1070/4885
US-10583206-B2 Radioactive probe for detecting hydrogen sulfide TST, SCLY, CTH CXCR4 3652/4885SMN1; SMN2 1195/4885ALDH1A1 1070/4885

“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.