SCHEMBL20163483

SCHEMBL20163483

Cc1nc(OCCN)ccc1I

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
HTR1B P28222 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
IKBKB O14920 1/20 0.33
HTR7 P34969 1/20 0.33
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
HSF1 Q00613 1/20 0.31
NNMT P40261 1/20 0.31
LTA4H P09960 1/20 0.31
PLA2G2A P14555 1/20 0.31
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ESR1 P03372 1/20 0.30

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
SCHEMBL20163502 0.82 THRB (0.41) IKBKBNNMT
SCHEMBL16809050 0.82 NPC1 (0.39) KDM4EMAPK1RAB9ALTA4HHPGD
SCHEMBL22150088 0.79 KDM4E (0.38) KDM4EHTR1BTAAR1TP53MAPK1
SCHEMBL31446022 0.74 NUDT1 (0.40) KDM4EHTR1BTAAR1IKBKBHTR7
SCHEMBL18774086 0.72 NNMT (0.48) NNMT
SCHEMBL16805396 0.72 L3MBTL1 (0.49) MAPK1SMN1; SMN2
SCHEMBL20163378 0.70 RAB9A (0.57) MAPK1RAB9AHPGDSMN1; SMN2
SCHEMBL5859072 0.70 HTR7 (0.44) KDM4EHTR1BTAAR1HTR7LTA4H
SCHEMBL18202622 0.69 KDM4E (0.52) KDM4EHTR1BTAAR1TP53MAPK1
SCHEMBL19732860 0.68 NOS3 (0.43) KDM4EHTR1BTAAR1TP53MAPK1

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
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-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
US-20180141913-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE EISAI R & D MANAGEMENT CO., LTD. (JP) 2018-05-24 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 KDM4E 2462/4885HTR1B 3848/4885TAAR1 4179/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 KDM4E 1882/4885HTR1B 3549/4885TAAR1 4224/4885

“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.