SCHEMBL10039636

SCHEMBL10039636

O=C(Cl)C1CCN(C(=O)CF)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.38
NPC1 O15118 1/20 0.37
YAP1 P46937 1/20 0.36
TEAD4 Q15561 1/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 3/20 0.35
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 2/20 0.34
KDM4E B2RXH2 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL10039632 0.82 L3MBTL1 (0.54) ALDH1A1L3MBTL1NPC1POLBLMNA
SCHEMBL5308413 0.80 ALDH1A1 (0.41) ALDH1A1L3MBTL1NPC1YAP1TEAD4
SCHEMBL13804082 0.80 ALDH1A1 (0.41) ALDH1A1L3MBTL1NPC1POLBKMT2A
SCHEMBL19195033 0.79 EPHX2 (0.43) ALDH1A1L3MBTL1NPC1YAP1TEAD4
SCHEMBL3427864 0.75 GNAI3 (0.51) ALDH1A1NPC1KMT2ATDP1MEN1
SCHEMBL27970309 0.75 SMN1; SMN2 (0.39) KMT2AMEN1SMN1; SMN2
SCHEMBL13663831 0.75 ALDH1A1 (0.64) ALDH1A1NPC1KMT2AMEN1KDM4E
SCHEMBL5184241 0.74 MAPT (0.38) ALDH1A1L3MBTL1YAP1TEAD4KMT2A
Hydrochloric Acid SCHEMBL4112230 0.73 GNAI3 (0.54) ALDH1A1NPC1KMT2ATDP1MEN1
SCHEMBL10039631 0.73 ALDH1A1 (0.66) ALDH1A1NPC1KMT2AMEN1CYP3A4

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-20130129625-A1 IN VIVO IMAGING AGENTS HAMMERSMITH IMANET LIMITED (GB) 2013-05-23 US disclosed
US-20130129626-A1 IN VIVO IMAGING AGENTS HAMMERSMITH IMANET LIMITED (GB) 2013-05-23 US disclosed
US-20130129625-A1 IN VIVO IMAGING AGENTS HAMMERSMITH IMANET LIMITED (GB) 2013-05-23 US disclosed
US-20130129626-A1 IN VIVO IMAGING AGENTS HAMMERSMITH IMANET LIMITED (GB) 2013-05-23 US disclosed
EP-2125038-B1 RADIOACTIVE PET AGENTS FOR IMAGING CCR5 IN VIVO GE HEALTHCARE LTD (GB) 2012-05-02 EP disclosed
US-20110129419-A1 IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2011-06-02 US disclosed
US-20110129419-A1 IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2011-06-02 US disclosed
WO-2008075040-A2 IN VIVO IMAGING AGENTS GE HEALTHCARE LIMITED (GB) 2008-06-26 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 (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-20110129419-A1 IN VIVO IMAGING AGENTS CCR5, CCR2, CX3CR1 ALDH1A1 2886/4885L3MBTL1 1414/4885NPC1 158/4885
US-20130129625-A1 IN VIVO IMAGING AGENTS CCR5, CCR2, CX3CR1 ALDH1A1 2886/4885L3MBTL1 1414/4885NPC1 158/4885
US-20130129626-A1 IN VIVO IMAGING AGENTS CCR5, CCR2, CX3CR1 ALDH1A1 2886/4885L3MBTL1 1414/4885NPC1 158/4885

“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.