SCHEMBL20163486

SCHEMBL20163486

NCCOc1cnc(I)cn1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.34
KDM4E B2RXH2 1/20 0.34
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

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
SCHEMBL20163374 0.79 THRB (0.35)
SCHEMBL27616482 0.77 SIRT6 (0.46) TAAR1KDM4E
SCHEMBL31445673 0.75 TAAR1 (0.34) TAAR1KDM4ELTA4HPLA2G2AHPGD
SCHEMBL20176279 0.75 TAAR1 (0.34) TAAR1KDM4ELTA4HPLA2G2AHPGD
SCHEMBL4493051 0.74 MAPT (0.40) HPGD
SCHEMBL30150621 0.73 KDM4E (0.42) TAAR1KDM4ELTA4HPLA2G2AHPGD
SCHEMBL20173461 0.73 KDM4E (0.42) TAAR1KDM4ELTA4HPLA2G2AHPGD
SCHEMBL22837804 0.73 KDM4E (0.41) KDM4ESMN1; SMN2
SCHEMBL20163350 0.73 MGMT (0.33)
Hydrochloric Acid SCHEMBL20163561 0.72 KDM4E (0.45) TAAR1KDM4ELTA4HPLA2G2AHPGD

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 5 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
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 TAAR1 4179/4885KDM4E 2462/4885LTA4H 4278/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 TAAR1 4224/4885KDM4E 1882/4885LTA4H 4104/4885

“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.