SCHEMBL20163384

SCHEMBL20163384

O=C(O)NCCOc1ccc(I)nn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
NPC1 O15118 5/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
RAB9A P51151 5/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 2/20 0.35
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL20176433 0.80 CA12 (0.49) L3MBTL1MAPTLMNA
SCHEMBL18260901 0.78 MTNR1A (0.37) MTNR1AMTNR1BNPC1SMN1; SMN2RAB9A
SCHEMBL20038030 0.77 HTR1B (0.43) ALDH1A1KDM4ELMNA
SCHEMBL20255430 0.76 HTR1B (0.44) L3MBTL1TSHRALDH1A1LMNA
SCHEMBL18260759 0.75 NPC1 (0.48) MTNR1AMTNR1BNPC1SMN1; SMN2RAB9A
SCHEMBL20163498 0.74 L3MBTL1 (0.39) MTNR1AMTNR1BHPGDMEN1KMT2A
SCHEMBL21383973 0.73 NPC1 (0.45) MTNR1AMTNR1BNPC1SMN1; SMN2RAB9A
SCHEMBL25357694 0.72 KDM4E (0.45) MTNR1AMTNR1BNPC1SMN1; SMN2RAB9A
SCHEMBL1953722 0.71 MTNR1A (0.46) MTNR1AMTNR1BNPC1SMN1; SMN2RAB9A
SCHEMBL3025907 0.71 BRD4 (0.40) ALOX15MAPK1HSD17B10ALDH1A1MAPT

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 4 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
EP-3544974-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER Eisai R&D Management Co., Ltd. (JP) 2019-10-02 EP disclosed
WO-2018098305-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-05-31 WO 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 MTNR1A 3975/4885MTNR1B 3782/4885NPC1 421/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 MTNR1A 3672/4885MTNR1B 3374/4885NPC1 555/4885

“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.