Sugi Predict

Sugi Predict / Compounds / SCHEMBL6632692

SCHEMBL6632692

SCHEMBL6632692

C[CH]c1ccnc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOX P28300 1/20 0.48
▸ LOXL2 Q9Y4K0 1/20 0.48
▸ IDH1 O75874 1/20 0.46
▸ CCR1 P32246 1/20 0.38
▸ CCR5 P51681 1/20 0.38
▸ CCR8 P51685 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ CYP1B1 Q16678 1/20 0.36
▸ DYRK1A Q13627 2/20 0.36
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ ACVR2A P27037 2/20 0.35
▸ TGFBR2 P37173 2/20 0.35
▸ HPGD P15428 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ NPC1 O15118 2/20 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
SCHEMBL22708155 0.84 LOX (0.46) LOXLOXL2IDH1CYP1A2CYP1A1
SCHEMBL28150724 0.82 LOX (0.47) LOXLOXL2IDH1CCR1CCR5
SCHEMBL22189323 0.82 LOX (0.47) LOXLOXL2IDH1CCR1CCR5
SCHEMBL7767987 0.82 LOX (0.47) LOXLOXL2IDH1CCR1CCR5
SCHEMBL2092741 0.82 LOX (0.47) LOXLOXL2IDH1CCR1CCR5
SCHEMBL29577033 0.82 MAPT (0.49) LOXLOXL2IDH1HPGDKDM4E
SCHEMBL31588267 0.82 LOX (0.47) LOXLOXL2IDH1CCR1CCR5
SCHEMBL443116 0.82 MAPT (0.49) LOXLOXL2IDH1HPGDKDM4E
SCHEMBL23244704 0.80 DYRK1A (0.45) LOXLOXL2LRRK2DYRK1AACVR2A
SCHEMBL21200571 0.77 IDH1 (0.45) LOXLOXL2IDH1CCR1CCR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024071216-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ＆ライフソリューション株式会社 2024-04-04 — — WO disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 — — WO disclosed
US-6737429-B2 TREATMENT OF HIV MEDIATED DISEASES. HOFFMANN-LA ROCHE INC. 2004-05-18 — — US disclosed
EP-1417202-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-05-12 — — EP disclosed
EP-1301481-A1 PYRROLE DERIVATIVES FOR TREATING AIDS F. HOFFMANN-LA ROCHE AG (CH) 2003-04-16 — — EP disclosed
US-20030069276-A1 Amino piperidine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-04-10 — — US disclosed
WO-2002079186-A2 AMINOPIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2002-10-10 — — WO disclosed
US-20020032221-A1 Pyrrole derivatives ROCHE PRODUCTS LIMITED (GB) 2002-03-14 — — US disclosed
WO-2002002524-A1 PYRROLE DERIVATIVES FOR TREATING AIDS F. HOFFMANN-LA ROCHE AG (CH) 2002-01-10 — — WO 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 (2 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-20030069276-A1 Amino piperidine derivatives CCR5, CCR2, CXCR4 LOX 3796/4885LOXL2 4527/4885IDH1 2071/4885
US-20020032221-A1 Pyrrole derivatives PYCR1, SARS1, MAVS LOX 2894/4885LOXL2 4102/4885IDH1 771/4885

“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.