SCHEMBL16375035

SCHEMBL16375035

O=C(Cn1cnc([N+](=O)[O-])c1CF)NCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ ERO1A Q96HE7 1/20 0.35
▸ KMT2A Q03164 5/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PKM P14618 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL15611017 0.91 LMNA (0.36) LMNATHRBCYP2C19F2CYP3A4
SCHEMBL15607833 0.90 LMNA (0.40) LMNATHRBCYP2C19F2CYP3A4
SCHEMBL15607861 0.83 F2 (0.39) LMNATHRBCYP2C19F2CYP3A4
SCHEMBL15607892 0.81 LMNA (0.39) LMNATHRBCYP2C19F2CYP3A4
SCHEMBL15607822 0.81 LMNA (0.38) LMNATHRBCYP2C19F2CYP3A4
SCHEMBL16375036 0.78 F2 (0.39) F2ERO1AKMT2AMEN1MAPT
SCHEMBL15607862 0.76 ALDH1A1 (0.34) LMNATHRBCYP2C19F2CYP3A4
SCHEMBL15607829 0.76 KMT2A (0.41) LMNATHRBCYP2C19CYP3A4CYP2D6
SCHEMBL16375032 0.75 F2 (0.33) LMNATHRBCYP2C19F2CYP3A4
SCHEMBL367133 0.73 LMNA (0.68) LMNATHRBCYP2C19F2CYP3A4

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 LMNA 4469/4885THRB 1824/4885CYP2C19 340/4885

“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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