SCHEMBL20173484

SCHEMBL20173484

NCCOc1ccc(I)nn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
TAAR1 Q96RJ0 1/20 0.38
HTR1B P28222 1/20 0.35
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
LTA4H P09960 2/20 0.33
PLA2G2A P14555 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GAA P10253 1/20 0.31

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
Hydrochloric Acid SCHEMBL20163386 0.98 KDM4E (0.45) KDM4ETAAR1HTR1BTP53MAPK1
SCHEMBL18202622 0.87 KDM4E (0.52) KDM4ETAAR1HTR1BTP53MAPK1
SCHEMBL256070 0.78 ACACB (0.36) KDM4ERAB9AGAA
SCHEMBL31445352 0.76 KDM4E (0.42) KDM4ETAAR1HTR1BTP53MAPK1
SCHEMBL10809447 0.76 KDM4E (0.42) KDM4ETAAR1HTR1BTP53MAPK1
SCHEMBL3299644 0.76 HTR7 (0.46) KDM4EHTR1BLTA4H
SCHEMBL256106 0.76 ACACB (0.41) MAPK1GAA
SCHEMBL255647 0.75 HTT (0.45) TP53SMN1; SMN2
Hydrochloric Acid SCHEMBL10891623 0.74 KDM4E (0.45) KDM4ETAAR1HTR1BTP53MAPK1
SCHEMBL20255430 0.74 HTR1B (0.44) HTR1BTP53

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 3 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
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 2462/4885TAAR1 4179/4885HTR1B 3848/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 KDM4E 1882/4885TAAR1 4224/4885HTR1B 3549/4885

“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.