SCHEMBL16375025

SCHEMBL16375025

O=C(Cc1ccc([N+](=O)[O-])cc1)NCC(F)(F)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ MAPT P10636 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ HTT P42858 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ OPRM1 P35372 1/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ RORC P51449 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45

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
SCHEMBL15610864 0.88 KMT2A (0.54) KMT2AMEN1MAPTLMNAL3MBTL1
SCHEMBL15610865 0.86 KMT2A (0.55) KMT2AMEN1MAPTLMNAL3MBTL1
SCHEMBL16374998 0.82 SMN1; SMN2 (0.41) KMT2AMEN1MAPTLMNAL3MBTL1
SCHEMBL15610829 0.78 KMT2A (0.54) KMT2AMEN1MAPTLMNAL3MBTL1
SCHEMBL2494960 0.77 KMT2A (0.59) KMT2AMEN1MAPTLMNAL3MBTL1
SCHEMBL2510372 0.76 KMT2A (0.56) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL27841972 0.76 SMN1; SMN2 (0.48) KMT2AMEN1MAPTL3MBTL1ALDH1A1
SCHEMBL15607950 0.75 KMT2A (0.52) KMT2AMEN1MAPTLMNAL3MBTL1
SCHEMBL5603398 0.75 KMT2A (0.60) KMT2AMEN1MAPTLMNAL3MBTL1
SCHEMBL6961756 0.74 KMT2A (0.67) KMT2AMEN1MAPTLMNAL3MBTL1

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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 — — 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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation CBR1, CBR3, BLVRB KMT2A 2366/4885MEN1 2288/4885MAPT 3982/4885

“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.

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