SCHEMBL2701432

SCHEMBL2701432

O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1O

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.64
MAPT P10636 6/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
HTT P42858 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
ALDH1A1 P00352 2/20 0.63
POLB P06746 1/20 0.63
KCNMA1 Q12791 7/20 0.62
TRPV1 Q8NER1 1/20 0.60
TP53 P04637 1/20 0.60
P2RX1 P51575 1/20 0.57
MCL1 Q07820 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
FADS1 O60427 1/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL1455315 0.89 MAPT (0.77) LMNAMAPTMEN1KMT2AHTT
SCHEMBL6120691 0.88 KCNMA1 (0.63) LMNAMEN1KMT2AHTTSMN1; SMN2
SCHEMBL27731935 0.86 MEN1 (0.69) LMNAMAPTMEN1KMT2AHTT
SCHEMBL4977900 0.86 MEN1 (0.62) LMNAMAPTMEN1KMT2AHTT
SCHEMBL23303584 0.85 P2RX1 (0.80) LMNAMAPTMEN1KMT2AHTT
SCHEMBL1454593 0.82 MEN1 (0.72) LMNAMAPTMEN1KMT2AHTT
SCHEMBL12099524 0.82 TP53 (0.67) LMNAMAPTMEN1KMT2AHTT
SCHEMBL24460130 0.82 KCNMA1 (0.62) LMNAMAPTMEN1KMT2AALDH1A1
SCHEMBL1454916 0.81 LMNA (0.60) LMNAMAPTMEN1KMT2AHTT
SCHEMBL21282650 0.81 KCNMA1 (0.61) LMNAMAPTMEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012058378-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES L.C. (US) 2012-05-03 WO disclosed
WO-2012058378-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES L.C. (US) 2012-05-03 WO disclosed
US-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES, L.C. 2012-05-03 US disclosed
US-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES, L.C. 2012-05-03 US disclosed
US-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES ROMARK LABORATORIES, L.C. 2012-05-03 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-20120108592-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE OF SALICYLANILIDES FOR TREATMENT OF HEPATITIS VIRUSES PYGL, GYS2, GLS2 LMNA 3131/4885MAPT 3233/4885MEN1 4455/4885

“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.