SCHEMBL3701973

SCHEMBL3701973

O=C(NCc1cccs1)c1nc2c(C(F)(F)F)cc(Br)cn2c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
THRB P10828 2/20 0.43
HPGD P15428 6/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CPT1A P50416 1/20 0.40
CYP2D6 P10635 1/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.39
RECQL P46063 1/20 0.39
MAPT P10636 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL7489819 0.85 PKM (0.48) LMNATHRBHPGDHTTPKM
SCHEMBL3698935 0.85 LMNA (0.41) LMNATHRBHPGDHTTTP53
SCHEMBL7486897 0.77 RAB9A (0.45) LMNAHPGDHTTPKMMEN1
SCHEMBL7490255 0.77 SMN1; SMN2 (0.45) LMNATHRBHPGDHTTPKM
SCHEMBL3687750 0.77 PTGS1 (0.42) LMNAHPGDHTTMEN1KMT2A
SCHEMBL3689261 0.75 HPGD (0.44) LMNAHPGDPKMMEN1KMT2A
SCHEMBL7493702 0.74 CPT1A (0.41) LMNATHRBHPGDHTTPKM
SCHEMBL3690459 0.74 PKM (0.47) LMNATHRBHPGDPKMCYP1A2
SCHEMBL3692663 0.74 SMN1; SMN2 (0.46) LMNATHRBHPGDHTTPKM
SCHEMBL3683681 0.73 PTGS1 (0.50) HPGDCYP1A2CYP2C19KMT2ARECQL

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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 LMNA 1511/4885THRB 3932/4885HPGD 446/4885

“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.