SCHEMBL17972575

SCHEMBL17972575

O=C(O)c1cc(Br)ccc1-c1c2cc(F)c(=O)cc-2oc2cc(O)c(F)cc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 2/20 0.77
USP2 O75604 6/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
BLM P54132 5/20 0.48
MAPT P10636 5/20 0.48
KDM4E B2RXH2 5/20 0.48
THRB P10828 4/20 0.48
RECQL P46063 4/20 0.48
TDP1 Q9NUW8 4/20 0.48
HPGD P15428 4/20 0.48
HTT P42858 3/20 0.48
CASP7 P55210 2/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
BRCA1 P38398 1/20 0.48
GABRP O00591 3/20 0.44
GABRD O14764 3/20 0.44
GABRA1 P14867 3/20 0.44

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
SCHEMBL17972557 0.93 FTO (0.76) FTOUSP2MEN1KMT2ABLM
SCHEMBL3109289 0.90 FTO (0.78) FTOUSP2MEN1KMT2ABLM
SCHEMBL31435692 0.90 FTO (0.78) FTOUSP2MEN1KMT2ABLM
SCHEMBL24274861 0.88 FTO (0.76) FTOUSP2MEN1KMT2ABLM
SCHEMBL10260320 0.88 FTO (0.76) FTOUSP2MEN1KMT2ABLM
SCHEMBL21129885 0.88 FTO (0.74) FTOUSP2MEN1KMT2ABLM
SCHEMBL18972336 0.88 FTO (0.74) FTOUSP2MEN1KMT2ABLM
SCHEMBL10205564 0.87 FTO (1.00) FTOUSP2MEN1KMT2ABLM
SCHEMBL22702333 0.86 FTO (0.71) FTOUSP2MEN1KMT2ABLM
SCHEMBL21126672 0.86 FTO (0.71) FTOUSP2MEN1KMT2ABLM

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-20160223559-A1 TETRAZINE-CONTAINING COMPOUNDS AND SYNTHETIC METHODS THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-08-04 US disclosed
US-20160223559-A1 TETRAZINE-CONTAINING COMPOUNDS AND SYNTHETIC METHODS THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-08-04 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-20160223559-A1 TETRAZINE-CONTAINING COMPOUNDS AND SYNTHETIC METHODS THEREOF HCK, TTK, TLK1 FTO 2591/4885USP2 620/4885MEN1 2054/4885

“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.