SCHEMBL8007587

SCHEMBL8007587

Oc1c(Cl)cc(-c2cnc(OCc3ccc(CN4CCc5ccccc5C4)cc3)nn2)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
HSP90AA1 P07900 1/20 0.44
ALOX15 P16050 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FFAR1 O14842 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
NOS1 P29475 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL3239824 0.93 BACE1 (0.36) L3MBTL1KDM4EMAPTHTTNPSR1
SCHEMBL8007732 0.89 ACACB (0.42) L3MBTL1KDM4EMAPTHTTNPSR1
SCHEMBL3247651 0.83 ABCB1 (0.33) KMT2AHRH3ABCB1ABCC1ABCG2
SCHEMBL3237578 0.82 DRD2 (0.45) KDM4EMAPTHTTLMNANPC1
SCHEMBL8018162 0.81 HDAC6 (0.42) L3MBTL1KDM4EMAPTHTTLMNA
SCHEMBL8017379 0.81 MELK (0.43) L3MBTL1NPSR1SMN1; SMN2NPC1TP53
SCHEMBL3247189 0.81 HRH3 (0.42) KDM4EHTTNPSR1LMNASMN1; SMN2
SCHEMBL3232802 0.80 DRD2 (0.43) KDM4EALDH1A1
SCHEMBL8391600 0.80 JAK1 (0.41) HSP90AA1MEN1KMT2AHRH3
SCHEMBL3241383 0.80 ALDH1A1 (0.48) L3MBTL1KDM4EMAPTHTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 L3MBTL1 4134/4885KDM4E 4514/4885MAPT 4767/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 L3MBTL1 3749/4885KDM4E 4565/4885MAPT 4877/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 L3MBTL1 3749/4885KDM4E 4565/4885MAPT 4877/4885

“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.