SCHEMBL3247240

SCHEMBL3247240

Oc1c(Cl)cc(-c2ccc(OCc3ccccc3)nn2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
ALDH1A1 P00352 2/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPC1 O15118 2/20 0.40
CYP2D6 P10635 1/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
KAT8 Q9H7Z6 2/20 0.38
KAT6A Q92794 1/20 0.38
FFAR1 O14842 2/20 0.38
GAA P10253 3/20 0.38
MGAM O43451 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
ACLY P53396 2/20 0.37
CYP1A2 P05177 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37

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
SCHEMBL3240298 0.87 BCHE (0.44) PTPN1BCHEACHE
SCHEMBL3244282 0.82 PARP15 (0.33) ALDH1A1CYP2C19NPC1CYP2D6GABRG2
SCHEMBL3244279 0.79 HTR2C (0.39) BCHEACHE
SCHEMBL3243162 0.77 RAB9A (0.44) ALDH1A1CYP2C19LMNAGAACYP1A2
SCHEMBL3247514 0.76 MEN1 (0.33) CYP2C19LMNACYP1A2
SCHEMBL4274920 0.75 LMNA (0.55) ALDH1A1CYP2C19LMNAHTTGAA
SCHEMBL3238260 0.74 L3MBTL1 (0.45) ALDH1A1BCHECYP2C19NPC1LMNA
SCHEMBL3245775 0.74 SMN1; SMN2 (0.40) ACHENPC1LMNAACLYSLC6A2
SCHEMBL3238195 0.73 L3MBTL1 (0.36) PTPN1ALDH1A1BCHELMNAGAA
SCHEMBL3242951 0.73 MAPT (0.50) ACHECYP2C19NPC1CYP2D6LMNA

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
US-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-29 US claimed
WO-2009131947-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING PYRIDAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO 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
US-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-29 US disclosed
US-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-29 US disclosed
US-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-29 US disclosed
WO-2009131947-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING PYRIDAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO 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-20090270398-A1 Compounds, Compositions and Methods Comprising Pyridazine Derivatives CFTR, PKD1, PKD2 PTPN1 1353/4885ALDH1A1 2300/4885BCHE 3890/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 PTPN1 3496/4885ALDH1A1 2115/4885BCHE 2569/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 PTPN1 3496/4885ALDH1A1 2115/4885BCHE 2569/4885

“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.