SCHEMBL3240333

SCHEMBL3240333

Cc1cc(OCc2ncc(-c3cc(Br)c(O)c(Br)c3)nn2)cc(C)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 3/20 0.33
TSHR P16473 2/20 0.33
OGG1 O15527 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 2/20 0.33
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP3A4 P08684 1/20 0.32
CHRM1 P11229 1/20 0.32
ALOX15 P16050 1/20 0.32
MAOA P21397 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL3232605 0.90 ALDH1A1 (0.34) LMNATSHRHPGDNOD2ALDH1A1
SCHEMBL3239858 0.81 MAPT (0.43) MRGPRX4LMNACYP1A2CYP2C19HPGD
SCHEMBL3247216 0.80 PTPN1 (0.38) MCL1MRGPRX4LMNACYP1A2CYP2C19
SCHEMBL3235743 0.78 MAPT (0.37) MRGPRX4LMNAPOLBCYP1A2CYP2C19
SCHEMBL3237644 0.78 ALDH1A1 (0.40) LMNAPOLBTSHRHPGDNPC1
SCHEMBL3240684 0.77 CRHBP (0.45) MCL1LMNANPC1RAB9AL3MBTL1
SCHEMBL3237664 0.77 MRGPRX4 (0.39) MRGPRX4TSHRCYP1A2CYP2D6CYP2C19
SCHEMBL8048966 0.76 ALDH1A1 (0.41) NPC1RAB9AALDH1A1
SCHEMBL3240229 0.75 L3MBTL1 (0.43) MRGPRX4TSHRHPGDNPC1RAB9A
SCHEMBL3242523 0.75 MRGPRX4 (0.36) MRGPRX4LMNAPOLBTSHRCYP1A2

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 MCL1 2813/4885MRGPRX4 1159/4885LMNA 4154/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 MCL1 2493/4885MRGPRX4 935/4885LMNA 3364/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 MCL1 2493/4885MRGPRX4 935/4885LMNA 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.