SCHEMBL20176639

SCHEMBL20176639

Fc1nn(PI)c2ccc(Br)cc12

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 2/20 0.32
PDPK1 O15530 1/20 0.32
JAK2 O60674 1/20 0.32
DNM1 Q05193 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK8 P45983 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
SCHEMBL20176288 0.80 MAPK8 (0.39) MEN1ALDH1A1KMT2AMAPTMAPK8
SCHEMBL25446307 0.80 NT5E (0.38) MEN1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL25444963 0.76 MEN1 (0.34) MEN1ALDH1A1KMT2AMAPK8
SCHEMBL13106482 0.74 MAPK8 (0.41) MAPTPDPK1JAK2DNM1SMN1; SMN2
SCHEMBL25446131 0.72 MAPT (0.35) MEN1ALDH1A1KMT2AMAPT
SCHEMBL24858683 0.70 MAPK1 (0.37) KMT2AMAPTSMN1; SMN2
SCHEMBL25444966 0.70 GAA (0.41) MEN1KMT2A
SCHEMBL24858305 0.68 CCNB2 (0.31)
SCHEMBL24858675 0.68 NPC1 (0.33)
SCHEMBL25062019 0.67 MEN1 (0.36) MEN1ALDH1A1KMT2AMAPTJAK2

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 MEN1 3869/4885ALDH1A1 1046/4885KMT2A 3295/4885
US-20200255415-A1 TETRASUBSTITUTED ALKENE COMPOUNDS AND THEIR USE FOR THE TREATMENT OF BREAST CANCER BRCA1, ESR2, ESR1 MEN1 4136/4885ALDH1A1 608/4885KMT2A 2884/4885

“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.