SCHEMBL2701801

SCHEMBL2701801

O=C(Nc1ccccc1Cl)c1ccccc1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.77
CYP1A2 P05177 1/20 0.77
CYP2C19 P33261 1/20 0.77
LMNA P02545 6/20 0.73
HTT P42858 4/20 0.73
NPC1 O15118 4/20 0.73
TP53 P04637 3/20 0.73
GAA P10253 2/20 0.73
HSD17B10 Q99714 4/20 0.65
KDM4E B2RXH2 3/20 0.65
ALDH1A1 P00352 2/20 0.65
MAPK1 P28482 1/20 0.65
KCNMA1 Q12791 3/20 0.64
RAB9A P51151 5/20 0.59
TSHR P16473 2/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
AR P10275 1/20 0.57
CBR1 P16152 1/20 0.57
AKR1C3 P42330 1/20 0.57

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
SCHEMBL31680566 0.89 CYP1A2 (0.89) HPGDCYP1A2CYP2C19NPC1KDM4E
SCHEMBL9621501 0.88 LMNA (0.67) HPGDCYP1A2CYP2C19LMNAHTT
SCHEMBL7678596 0.87 LMNA (0.88) HPGDCYP1A2CYP2C19LMNAHTT
SCHEMBL9833874 0.86 CYP1A2 (0.77) HPGDCYP1A2CYP2C19LMNAHTT
SCHEMBL845142 0.85 LMNA (1.00) HPGDLMNAHTTNPC1TP53
SCHEMBL31093979 0.83 KCNMA1 (0.71) HPGDCYP1A2CYP2C19LMNAHTT
SCHEMBL16147455 0.83 KCNMA1 (0.71) HPGDCYP1A2CYP2C19LMNAHTT
SCHEMBL28842439 0.83 LMNA (0.96) HPGDLMNAHTTNPC1TP53
SCHEMBL28842312 0.83 LMNA (0.96) HPGDLMNAHTTNPC1TP53
SCHEMBL17413293 0.83 KCNMA1 (0.65) HPGDCYP1A2CYP2C19LMNAHTT

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 HPGD 573/4885CYP1A2 107/4885CYP2C19 88/4885

“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.