SCHEMBL461349

SCHEMBL461349

Fc1ccc(-c2ncn(-c3n[nH]c(N4CCC(Cc5ccccc5)CC4)n3)n2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 5/20 0.36
MAPT P10636 4/20 0.36
HTT P42858 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
GPR84 Q9NQS5 1/20 0.36
POLB P06746 2/20 0.36
CCR3 P51677 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GPR6 P46095 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
STAT3 P40763 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BRCA1 P38398 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL424352 0.72 MEN1 (0.48) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL14503465 0.61 TSHR (0.74) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL8119586 0.60 TSHR (0.64) TSHRALDH1A1MAPTHTTKDM4E
SCHEMBL24419090 0.60 GRIN2B (0.57) TSHRALDH1A1MAPTHTTKDM4E
SCHEMBL7824827 0.59 SLC6A2 (0.58) TSHRALDH1A1MAPTHTTKDM4E
SCHEMBL27148291 0.59 ALDH1A1 (0.52) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL7814096 0.59 SLC6A2 (0.55) TSHRALDH1A1MAPTHTTKDM4E
SCHEMBL4436265 0.59 GRIN2B (0.65) TSHRALDH1A1MAPTHTTKDM4E
SCHEMBL7748911 0.59 MAPK14 (0.54)
SCHEMBL6329602 0.59 SCN9A (0.47) TSHRALDH1A1HTTKDM4ELMNA

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-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20120065191-A1 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2012-03-15 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 (1 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-20120065191-A1 PHARMACEUTICAL COMPOUNDS FAAH, FAAH2, ASAH1 TSHR 2673/4885MEN1 2893/4885KMT2A 2067/4885

“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.