SCHEMBL20163347

SCHEMBL20163347

O=C(O)N(CC=CC(=O)N1CCOCC1)CCOc1ccc(I)cn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.37
NPC1 O15118 8/20 0.37
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GABRA5 P31644 1/20 0.33
APP P05067 1/20 0.33
ALDH1A1 P00352 2/20 0.33
AKR1C3 P42330 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PHGDH O43175 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL20163344 1.00 RAB9A (0.37) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL20163407 0.91 GPR183 (0.32) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL20163586 0.91 GPR183 (0.34) MEN1KMT2A
SCHEMBL20163425 0.91 GPR183 (0.32) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL20163419 0.91 GPR183 (0.32) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL20163583 0.91 GPR183 (0.34) MEN1KMT2A
SCHEMBL20163403 0.91 GPR183 (0.32) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL20173472 0.87 RAB9A (0.36) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL20163579 0.86 RAB9A (0.49) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL20163577 0.86 RAB9A (0.49) RAB9ANPC1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2020-08-13 US disclosed
US-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 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-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE BRCA1, ESR2, ESR1 RAB9A 1518/4885NPC1 421/4885MEN1 3869/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 RAB9A 1890/4885NPC1 555/4885MEN1 4136/4885

“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.