SCHEMBL3237644

SCHEMBL3237644

Cc1ccc(C)c(OCc2ncc(-c3cc(Br)c(O)c(Br)c3)nn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.38
CYP2C9 P11712 1/20 0.37
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 4/20 0.35
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
FFAR1 O14842 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL3235743 0.89 MAPT (0.37) ALDH1A1HPGDKMT2ACYP2C9SMN1; SMN2
SCHEMBL3237936 0.87 ACHE (0.40) ALDH1A1SMN1; SMN2HTTLMNAL3MBTL1
SCHEMBL3243525 0.87 MAPT (0.43) ALDH1A1HPGDKMT2ATSHRSMN1; SMN2
SCHEMBL3240014 0.82 RXRG (0.43) KMT2ATSHRLMNAHIF1A
SCHEMBL3239858 0.82 MAPT (0.43) HPGDKMT2ASMN1; SMN2RAB9ANPC1
SCHEMBL3232605 0.80 ALDH1A1 (0.34) ALDH1A1HPGDTSHRMAPTLMNA
SCHEMBL3240229 0.79 L3MBTL1 (0.43) ALDH1A1HPGDKMT2ATSHRSMN1; SMN2
SCHEMBL3240333 0.78 MCL1 (0.35) ALDH1A1HPGDTSHRRAB9ANPC1
SCHEMBL3242037 0.77 ALDH1A1 (0.36) ALDH1A1HPGDKMT2ATSHRRAB9A
SCHEMBL3242523 0.77 MRGPRX4 (0.36) ALDH1A1HPGDKMT2ACYP2C9TSHR

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 ALDH1A1 2483/4885HPGD 1278/4885KMT2A 4503/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 ALDH1A1 2115/4885HPGD 756/4885KMT2A 4715/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 ALDH1A1 2115/4885HPGD 756/4885KMT2A 4715/4885

“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.