SCHEMBL3243963

SCHEMBL3243963

C=CCc1ccccc1OCc1ncc(-c2cc(Br)c(O)c(Br)c2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.40
ADRA2C P18825 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 3/20 0.36
ADRB2 P07550 3/20 0.35
ADRB1 P08588 3/20 0.35
LMNA P02545 2/20 0.35
ADRB3 P13945 1/20 0.35
SLC6A2 P23975 1/20 0.35
BDKRB2 P30411 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL3237664 0.77 MRGPRX4 (0.39) MAPTTP53ALDH1A1KDM4ECYP1A2
SCHEMBL3242037 0.76 ALDH1A1 (0.36) ALDH1A1TSHR
SCHEMBL3240684 0.75 CRHBP (0.45) MAPTLMNATDP1
SCHEMBL3242523 0.73 MRGPRX4 (0.36) MAPTTP53ALDH1A1KDM4ELMNA
SCHEMBL3240229 0.73 L3MBTL1 (0.43) MAPTALDH1A1TSHRTDP1
SCHEMBL3237644 0.73 ALDH1A1 (0.40) MAPTALDH1A1LMNATSHR
SCHEMBL3247216 0.73 PTPN1 (0.38) ALDH1A1LMNACYP1A2
SCHEMBL3245717 0.73 KMT2A (0.45) HTR1AMAPTALDH1A1LMNATSHR
SCHEMBL8006778 0.73 MAOB (0.46) MAPTTHRBALDH1A1KDM4ELMNA
SCHEMBL3239858 0.72 MAPT (0.43) HTR1AMAPTTP53KDM4ELMNA

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-2009131958-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO claimed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine 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-2009131958-A2 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZINE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 WO disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 US disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine 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-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives CFTR, PKD1, PKD2 HTR1A 1964/4885ADRA2C 1559/4885ADRA2A 1985/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 HTR1A 1985/4885ADRA2C 1299/4885ADRA2A 1942/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 HTR1A 1985/4885ADRA2C 1299/4885ADRA2A 1942/4885

“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.