SCHEMBL17641102

SCHEMBL17641102

O=C(NCCCCCCCCCCBr)OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.68
TGM2 P21980 1/20 0.68
LMNA P02545 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63
KEAP1 Q14145 2/20 0.61
NFE2L2 Q16236 2/20 0.61
FOLH1 Q04609 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.52
DPP8 Q6V1X1 1/20 0.52
DPP7 Q9UHL4 1/20 0.52
TPSAB1 Q15661 1/20 0.52
TPSD1 Q9BZJ3 1/20 0.52
TPSG1 Q9NRR2 1/20 0.52
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51

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
SCHEMBL1419600 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL5240928 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL29270787 1.00 HTT (0.68) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL6170645 0.98 HTT (0.70) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL431541 0.94 HTT (0.72) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL9874334 0.92 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL9340146 0.92 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL15346534 0.92 HTT (0.79) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL18254066 0.91 HTT (0.81) HTTTGM2LMNASMN1; SMN2KEAP1
SCHEMBL6447301 0.88 HTT (0.72) HTTTGM2LMNASMN1; SMN2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107106709-B Radiopharmaceutical conjugates comprising a metabolite and an EPR agent targeting tumor cells 南非核能源有限公司 2021-04-06 CN disclosed
US-10874753-B2 Radiopharmaceutical conjugate of a metabolite and an EPR agent, for targeting tumour cells THE SOUTH AFRICAN NUCLEAR ENERGY CORPORATION LIMITED (ZA) 2020-12-29 US disclosed
US-10874753-B2 Radiopharmaceutical conjugate of a metabolite and an EPR agent, for targeting tumour cells THE SOUTH AFRICAN NUCLEAR ENERGY CORPORATION LIMITED (ZA) 2020-12-29 US disclosed
US-20170296684-A1 RADIOPHARMACEUTICAL CONJUGATE UNIVERSITY OF CAPE TOWN (ZA) 2017-10-19 US disclosed
US-20170296684-A1 RADIOPHARMACEUTICAL CONJUGATE UNIVERSITY OF CAPE TOWN (ZA) 2017-10-19 US disclosed
US-20170296684-A1 RADIOPHARMACEUTICAL CONJUGATE UNIVERSITY OF CAPE TOWN (ZA) 2017-10-19 US disclosed
WO-2016046793-A2 RADIOPHARMACEUTICAL CONJUGATE THE SOUTH AFRICAN NUCLEAR ENERGY CORPORATION LIMITED (ZA) 2016-03-31 WO 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-10874753-B2 Radiopharmaceutical conjugate of a metabolite and an EPR agent, for targeting tumour cells EPRS1, FOLH1, SLC46A1 HTT 3013/4885TGM2 456/4885LMNA 1765/4885
US-20170296684-A1 RADIOPHARMACEUTICAL CONJUGATE FOLH1, EPRS1, FOLR1 HTT 3083/4885TGM2 561/4885LMNA 2258/4885

“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.