Sugi Predict

Sugi Predict / Compounds / SCHEMBL8007732

SCHEMBL8007732

SCHEMBL8007732

Oc1c(Cl)cc(-c2cnc(OCc3ccc(CN4CCc5ccc(Br)cc5C4)cc3)nn2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.42
▸ ABCB1 P08183 8/20 0.39
▸ ABCC1 P33527 3/20 0.39
▸ ABCG2 Q9UNQ0 1/20 0.39
▸ REV1 Q9UBZ9 1/20 0.37
▸ CCR5 P51681 1/20 0.37
▸ CARM1 Q86X55 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ TNF P01375 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL8007587 0.89 L3MBTL1 (0.46) ABCB1ABCC1ABCG2REV1L3MBTL1
SCHEMBL3239824 0.82 BACE1 (0.36) ACACBREV1L3MBTL1FFAR1NOD1
SCHEMBL3247651 0.82 ABCB1 (0.33) ACACBABCB1ABCC1ABCG2KMT2A
SCHEMBL8017379 0.78 MELK (0.43) CCR5L3MBTL1MEN1KMT2ANPC1
SCHEMBL8391600 0.77 JAK1 (0.41) MEN1KMT2AHSP90AA1
SCHEMBL3235975 0.76 HRH3 (0.43) HSP90AA1
SCHEMBL3242136 0.76 HRH3 (0.45) —
SCHEMBL3235754 0.75 MEN1 (0.50) MEN1KMT2AHTTSMN1; SMN2
SCHEMBL3237578 0.75 DRD2 (0.45) KMT2AKDM4ENPC1LMNAHSP90AA1
SCHEMBL3232802 0.75 DRD2 (0.43) TNFKDM4E

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 ACACB 2854/4885ABCB1 32/4885ABCC1 7/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 ACACB 2162/4885ABCB1 18/4885ABCC1 8/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 ACACB 2162/4885ABCB1 18/4885ABCC1 8/4885

“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.