Sugi Predict

Sugi Predict / Compounds / SCHEMBL3244174

SCHEMBL3244174

SCHEMBL3244174

CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1n[nH]c(-c2cc(Cl)c(O)c(Cl)c2)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AKR1C2 P52895 1/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ HSP90AA1 P07900 6/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ CRHBP P24387 1/20 0.36
▸ CRHR2 Q13324 1/20 0.36
▸ ESRRG P62508 2/20 0.35
▸ TSPO P30536 1/20 0.35
▸ PIN1 Q13526 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GRK6 P43250 1/20 0.35
▸ ESRRB O95718 1/20 0.35

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
SCHEMBL3247207 0.89 NPC1 (0.43) HSP90AA1RAB9ATSPOPIN1HTT
SCHEMBL3232895 0.86 TRPV1 (0.39) HSP90AA1
SCHEMBL3246270 0.83 TACR1 (0.42) HSP90AA1PIN1GRK6
SCHEMBL3415260 0.80 PPARG (0.42) AKR1C2AKR1C1HSP90AA1MEN1RAB9A
SCHEMBL1114344 0.76 KDM4E (0.47) AKR1C2AKR1C1HSP90AA1RAB9ACRHBP
SCHEMBL13294659 0.75 TACR1 (0.44) HSP90AA1GRK6
SCHEMBL2399443 0.73 NOTUM (0.39) AKR1C2AKR1C1HSP90AA1MEN1RAB9A
SCHEMBL1114356 0.73 MEN1 (0.41) HSP90AA1MEN1RAB9AKMT2ASMN1; SMN2
SCHEMBL3232868 0.71 PDE2A (0.48) HSP90AA1SMN1; SMN2
SCHEMBL1114322 0.69 HDAC6 (0.47) MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090264471-A1 Compounds, Compositions and Methods Comprising Triazole 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-2009131956-A1 COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2009-10-29 — — WO disclosed
US-20090264471-A1 Compounds, Compositions and Methods Comprising Triazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 — — US disclosed
US-20090264471-A1 Compounds, Compositions and Methods Comprising Triazole Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 — — US disclosed
US-20090264471-A1 Compounds, Compositions and Methods Comprising Triazole 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 AKR1C2 396/4885AKR1C1 581/4885HSP90AA1 1939/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 AKR1C2 396/4885AKR1C1 581/4885HSP90AA1 1939/4885
US-20090264471-A1 Compounds, Compositions and Methods Comprising Triazole Derivatives CFTR, PKD1, PKD2 AKR1C2 715/4885AKR1C1 970/4885HSP90AA1 2084/4885

“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.