Sugi Predict

Sugi Predict / Compounds / SCHEMBL8018162

SCHEMBL8018162

SCHEMBL8018162

Oc1c(Cl)cc(-c2cnc(OCc3ccc(CN4CCCc5ccccc54)cc3)nn2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 6/20 0.42
▸ HDAC1 Q13547 5/20 0.42
▸ HDAC3 O15379 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ TSHR P16473 2/20 0.40
▸ HDAC8 Q9BY41 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ USP2 O75604 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ALOX15 P16050 2/20 0.38

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 0.82 BACE1 (0.36) HDAC1ALDH1A1MAPTKDM4EMAPK1
SCHEMBL8007587 0.81 L3MBTL1 (0.46) HDAC1ALDH1A1MAPTKDM4EKMT2A
SCHEMBL3239819 0.77 HPGDS (0.33) TSHRALDH1A1MAPTMAPK1L3MBTL1
SCHEMBL3237578 0.77 DRD2 (0.45) TSHRALDH1A1MAPTKDM4EKMT2A
SCHEMBL3244109 0.77 PTPN1 (0.40) HDAC8ALDH1A1USP2LMNAHSD17B10
SCHEMBL3243728 0.76 OPRL1 (0.48) ALDH1A1KDM4ELMNAPOLB
SCHEMBL3247189 0.76 HRH3 (0.42) ALDH1A1KDM4EKMT2ATP53LMNA
SCHEMBL3235975 0.76 HRH3 (0.43) —
SCHEMBL8017379 0.76 MELK (0.43) TSHRKMT2AL3MBTL1TP53USP2
SCHEMBL3243794 0.76 ENPP2 (0.40) ALDH1A1MAPTKDM4ELMNAHTT

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 HDAC6 742/4885HDAC1 1618/4885HDAC3 1048/4885
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 HDAC6 829/4885HDAC1 2458/4885HDAC3 1811/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 HDAC6 829/4885HDAC1 2458/4885HDAC3 1811/4885

“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.