SCHEMBL2398149

SCHEMBL2398149

O=C(c1ncn(-c2cc(Cl)c(O)c(Cl)c2)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.55
TSHR P16473 4/20 0.53
LMNA P02545 4/20 0.53
HTT P42858 2/20 0.53
ALDH1A1 P00352 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 4/20 0.51
POLB P06746 4/20 0.51
MEN1 O00255 3/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.50
ATM Q13315 1/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 2/20 0.48

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
SCHEMBL12263138 0.85 CA12 (0.44) TSHRLMNAHTTALDH1A1NPSR1
SCHEMBL3239850 0.80 CNR1 (0.54) CNR1TSHRLMNAHTTALDH1A1
SCHEMBL12263170 0.78 MAPT (0.45) TSHRLMNAHTTALDH1A1NPSR1
SCHEMBL3412606 0.74 TACR3 (0.57) CNR1TSHRLMNAHTTALDH1A1
SCHEMBL26819121 0.74 LMNA (0.52) CNR1TSHRLMNAHTTALDH1A1
SCHEMBL2398352 0.74 TACR1 (0.42) ALDH1A1
SCHEMBL692479 0.74 TSHR (0.52) CNR1TSHRLMNAHTTALDH1A1
SCHEMBL2216562 0.74 MEN1 (0.52) LMNAKMT2AMEN1GAA
SCHEMBL1114345 0.74 MAPT (0.53) CNR1TSHRLMNAHTTALDH1A1
SCHEMBL3242682 0.74 KMT2A (0.52) CNR1TSHRLMNAHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US claimed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US disclosed
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 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-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

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 CNR1 1467/4885TSHR 2802/4885LMNA 3364/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 CNR1 2009/4885TSHR 1316/4885LMNA 4295/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 CNR1 1467/4885TSHR 2802/4885LMNA 3364/4885

“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.