SCHEMBL3240175

SCHEMBL3240175

O=C(NCc1ccc(Oc2ccccc2)cc1)c1nc(-c2cc(Br)c(O)c(Br)c2)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
HTT P42858 1/20 0.47
MMP13 P45452 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.46
KLKB1 P03952 1/20 0.42
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
EPHX2 P34913 1/20 0.41
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
LIPG Q9Y5X9 1/20 0.41
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKCA P17252 1/20 0.40

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
SCHEMBL3232837 0.80 ENPP2 (0.47) MAPK14LMNACYP3A4HTTMMP13
Iowh-032 SCHEMBL1114552 0.80 SMPD1 (0.51) MAPK14LMNACYP3A4HTTMMP13
SCHEMBL14684460 0.74 SMPD1 (0.47) MAPK14LMNACYP3A4HTTMMP13
SCHEMBL16727928 0.71 KMT2A (0.52) MAPK14LMNACYP3A4HTTMMP13
SCHEMBL3247187 0.70 KLKB1 (0.48) MAPK14LMNACYP3A4HTTMMP13
SCHEMBL3237497 0.70 MAPK14 (0.44) MAPK14LMNACYP3A4HTTMMP13
SCHEMBL5709300 0.70 HPGD (0.84) MAPK14LMNACYP3A4HTTMMP13
SCHEMBL14684357 0.69 SMPD1 (0.48) MAPK14LMNACYP3A4HTTMMP13
SCHEMBL1114340 0.69 SMN1; SMN2 (0.58) LMNASMN1; SMN2HPGDROCK2GRK2
SCHEMBL8826130 0.68 NR1H4 (0.77) MAPK14LMNACYP3A4HTTMMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009131956-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO claimed
US-20090264471-A1 Compounds, Compositions and Methods Comprising Triazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US claimed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
WO-2009131956-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO disclosed
US-20090264471-A1 Compounds, Compositions and Methods Comprising Triazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US disclosed
US-20090264471-A1 Compounds, Compositions and Methods Comprising Triazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US disclosed
US-20090264471-A1 Compounds, Compositions and Methods Comprising Triazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 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 (3 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 MAPK14 3946/4885LMNA 3364/4885CYP3A4 1541/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 MAPK14 3946/4885LMNA 3364/4885CYP3A4 1541/4885
US-20090264471-A1 Compounds, Compositions and Methods Comprising Triazole Derivatives CFTR, PKD1, PKD2 MAPK14 3928/4885LMNA 4192/4885CYP3A4 1736/4885

“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.