SCHEMBL6695232

SCHEMBL6695232

COC(=O)c1c(-c2ccc(F)cc2F)noc1C

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
POLB P06746 1/20 0.57
TP53 P04637 3/20 0.49
LMNA P02545 2/20 0.49
ALPL P05186 1/20 0.48
GABRA5 P31644 2/20 0.48
TSHR P16473 2/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 4/20 0.44
EPAS1 Q99814 1/20 0.43
NPC1 O15118 1/20 0.43
GPBAR1 Q8TDU6 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 1/20 0.42
PTBP1 P26599 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
HSD17B10 Q99714 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL2930347 0.87 MAPT (0.53) MAPTPOLBTP53LMNAGABRA5
SCHEMBL5773540 0.85 MAPT (0.57) MAPTPOLBTP53GABRA5TSHR
SCHEMBL5773636 0.84 GPBAR1 (0.57) MAPTPOLBTP53LMNATSHR
SCHEMBL4721200 0.81 LMNA (0.72) MAPTPOLBTP53LMNAGABRA5
SCHEMBL13734171 0.79 GPBAR1 (0.58) POLBTP53LMNAGABRA5TSHR
SCHEMBL5775105 0.78 ALDH1A1 (0.59) MAPTPOLBTP53LMNATSHR
SCHEMBL2930268 0.77 L3MBTL1 (0.51) MAPTPOLBTP53LMNAGABRA5
SCHEMBL2922653 0.77 NPC1 (0.49) MAPTPOLBTP53LMNAGABRA5
SCHEMBL12542859 0.75 GPBAR1 (0.47) MAPTPOLBTP53LMNATSHR
SCHEMBL5796651 0.75 NPC1 (0.45) MAPTPOLBTP53LMNATSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040077675-A1 Compounds and methods for inhibiting MRP1 BONJOUKLIAN ROSANNE (US) 2004-04-22 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-20040077675-A1 Compounds and methods for inhibiting MRP1 ABCC1, ABCB1, ABCB11 MAPT 4342/4885POLB 979/4885TP53 136/4885

“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.